ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane

C47H99N5 — CID 160875120

IUPACethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCC.CC.CC.CC.CC.CN1C2CCC1C2.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CC(C2)C1
InChIInChI=1S/C9H17N.C8H15N.2C7H13N.C6H11N.5C2H6/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-7-3-2-4-8(9)6-5-7;1-8-4-6-2-7(3-6)5-8;1-8-6-2-3-7(8)5-4-6;1-7-5-2-3-6(7)4-5;5*1-2/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;5*1-2H3
InChIKeySMHDHWATVCCAMR-UHFFFAOYSA-N
MW734.34 g/mol
LogP11.84
Rot. Bonds

About ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane

ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 160875120) has the molecular formula C47H99N5 and a molecular weight of 734.34 g/mol. Its IUPAC name is ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID160875120
Molecular FormulaC47H99N5
Molecular Weight734.34 g/mol
Exact Mass733.79
IUPAC Nameethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
SMILESCC.CC.CC.CC.CC.CN1C2CCC1C2.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CC(C2)C1
InChIInChI=1S/C9H17N.C8H15N.2C7H13N.C6H11N.5C2H6/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-7-3-2-4-8(9)6-5-7;1-8-4-6-2-7(3-6)5-8;1-8-6-2-3-7(8)5-4-6;1-7-5-2-3-6(7)4-5;5*1-2/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;5*1-2H3
InChIKeySMHDHWATVCCAMR-UHFFFAOYSA-N
XLogP11.84
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.34
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

Ethane;tris(3-propan-2-yl-3-azabicyclo[3.1.1]heptane);7-propan-2-yl-7-azabicyclo[2.2.1]heptane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
CID 158131790
3-Azabicyclo[3.1.1]heptane;7-azabicyclo[2.2.1]heptane;5-azabicyclo[2.1.1]hexane;9-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;ethane
CID 158910213
6-Methyl-6-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160210570
6-Propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 161082605
Tris(3-tert-butyl-3-azabicyclo[3.1.1]heptane);7-tert-butyl-7-azabicyclo[2.2.1]heptane;ethane;tris(8-propan-2-yl-8-azabicyclo[3.2.1]octane)
CID 167660055

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane (CID 160875120) is ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane is CC.CC.CC.CC.CC.CN1C2CCC1C2.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CCC2.CN1CC2CC(C2)C1.
What is the InChIKey of ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is SMHDHWATVCCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15N.2C7H13N.C6H11N.5C2H6/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-7-3-2-4-8(9)6-5-7;1-8-4-6-2-7(3-6)5-8;1-8-6-2-3-7(8)5-4-6;1-7-5-2-3-6(7)4-5;5*1-2/h8-9H,2-7H2,1H3;7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;5*1-2H3.
What are the key properties of ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane?
ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 734.34 g/mol, XLogP of 11.84, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 160875120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).