N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine

C49H100N6 — CID 163894393

IUPACN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CCCNC(C)C
InChIInChI=1S/2C10H19N.2C9H17N.C6H15N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-4-5-7-6(2)3;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5H,1-4H3
InChIKeyQEIPJGYCAKPZTJ-UHFFFAOYSA-N
MW773.38 g/mol
LogP10.65
Rot. Bonds8

About N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine

N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine (PubChem CID 163894393) has the molecular formula C49H100N6 and a molecular weight of 773.38 g/mol. Its IUPAC name is N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine
PubChem CID163894393
Molecular FormulaC49H100N6
Molecular Weight773.38 g/mol
Exact Mass772.80
IUPAC NameN,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine
SMILESCC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CCCNC(C)C
InChIInChI=1S/2C10H19N.2C9H17N.C6H15N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-4-5-7-6(2)3;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5H,1-4H3
InChIKeyQEIPJGYCAKPZTJ-UHFFFAOYSA-N
XLogP10.65
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.38
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine with MolForge

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Related Compounds

3-Azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;methane
CID 157489779
3-Azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane
CID 158601278
N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylazetidine
CID 163821591
2-Methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 164985879

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine?
The IUPAC name of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine (CID 163894393) is N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine?
The canonical SMILES for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine is CC(C)N(C)C.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1CC2CC(C2)C1.CC(C)N1CC2CCC(C2)C1.CCCNC(C)C.
What is the InChIKey of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine?
The InChIKey is QEIPJGYCAKPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H19N.2C9H17N.C6H15N.C5H13N/c1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-5-8-3-9(4-8)6-10;1-7(2)10-8-4-3-5-9(10)6-8;1-4-5-7-6(2)3;1-5(2)6(3)4/h2*8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3;5H,1-4H3.
What are the key properties of N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine?
N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine has a molecular weight of 773.38 g/mol, XLogP of 10.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-2-amine;3-propan-2-yl-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-6-azabicyclo[3.1.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163894393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).