1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) — IUPAC name, SMILES, InChIKey & properties

Name: 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)

1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) (PubChem CID 167656378) has the molecular formula C106H222N14O2 and a molecular weight of 1725.04 g/mol. Its IUPAC name is 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine).

Molecular Properties

Compound Name	1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)
PubChem CID	167656378
Molecular Formula	C106H222N14O2
Molecular Weight	1725.04 g/mol
Exact Mass	1723.77
IUPAC Name	1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)
SMILES	CC1(C)CCCN1.CC1(C)CCCN1.CC1(C)CCNC1.CC1(C)CCNC1.CC1(C)CCNCC1.CC1(C)CCOC1.CC1(C)CCOC1.CC1(C)CNC1.CC12CCN(CC1)CC2.CN1C2CCC1(C)CC2.CN1CC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)CC1.CN1CCCC1(C)C.CN1CCCC1(C)C
InChI	InChI=1S/2C8H15N.C8H17N.5C7H15N.5C6H13N.2C6H12O.C5H11N/c1-8-5-3-7(4-6-8)9(8)2;1-8-2-5-9(6-3-8)7-4-8;1-8(2)4-6-9(3)7-5-8;21-7(2)4-5-8(3)6-7;21-7(2)5-4-6-8(7)3;1-7(2)3-5-8-6-4-7;1-6(2)4-7(3)5-6;21-6(2)3-4-7-5-6;21-6(2)4-3-5-7-6;21-6(2)3-4-7-5-6;1-5(2)3-6-4-5/h7H,3-6H2,1-2H3;2-7H2,1H3;4-7H2,1-3H3;44-6H2,1-3H3;8H,3-6H2,1-2H3;4-5H2,1-3H3;47H,3-5H2,1-2H3;23-5H2,1-2H3;6H,3-4H2,1-2H3
InChIKey	RHYPOTDMAIWKGM-UHFFFAOYSA-N
XLogP	20.69
TPSA	116.56 Å²
H-Bond Donors	6
H-Bond Acceptors	16
Rotatable Bonds
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1725.04
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Analyze 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)?

The IUPAC name of 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) (CID 167656378) is 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine).

What is the SMILES notation for 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)?

The canonical SMILES for 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) is CC1(C)CCCN1.CC1(C)CCCN1.CC1(C)CCNC1.CC1(C)CCNC1.CC1(C)CCNCC1.CC1(C)CCOC1.CC1(C)CCOC1.CC1(C)CNC1.CC12CCN(CC1)CC2.CN1C2CCC1(C)CC2.CN1CC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)CC1.CN1CCCC1(C)C.CN1CCCC1(C)C.

What is the InChIKey of 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)?

The InChIKey is RHYPOTDMAIWKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N.C8H17N.5C7H15N.5C6H13N.2C6H12O.C5H11N/c1-8-5-3-7(4-6-8)9(8)2;1-8-2-5-9(6-3-8)7-4-8;1-8(2)4-6-9(3)7-5-8;2*1-7(2)4-5-8(3)6-7;2*1-7(2)5-4-6-8(7)3;1-7(2)3-5-8-6-4-7;1-6(2)4-7(3)5-6;2*1-6(2)3-4-7-5-6;2*1-6(2)4-3-5-7-6;2*1-6(2)3-4-7-5-6;1-5(2)3-6-4-5/h7H,3-6H2,1-2H3;2-7H2,1H3;4-7H2,1-3H3;4*4-6H2,1-3H3;8H,3-6H2,1-2H3;4-5H2,1-3H3;4*7H,3-5H2,1-2H3;2*3-5H2,1-2H3;6H,3-4H2,1-2H3.

What are the key properties of 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine)?

Where does this data come from?

All data for 1,7-dimethyl-7-azabicyclo[2.2.1]heptane;3,3-dimethylazetidine;bis(3,3-dimethyloxolane);4,4-dimethylpiperidine;bis(2,2-dimethylpyrrolidine);bis(3,3-dimethylpyrrolidine);4-methyl-1-azabicyclo[2.2.2]octane;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;bis(1,2,2-trimethylpyrrolidine);bis(1,3,3-trimethylpyrrolidine) is sourced from PubChem (CID 167656378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).