[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine

C7H14N2 — CID 167732628

IUPAC[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
SMILESNCC1C[C@@H]2C[C@H](C1)N2
InChIInChI=1S/C7H14N2/c8-4-5-1-6-3-7(2-5)9-6/h5-7,9H,1-4,8H2/t5?,6-,7+
InChIKeyCWKXFJMKITVIGU-DGUCWDHESA-N
MW126.20 g/mol
LogP0.09
Rot. Bonds1

About [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine

[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine (PubChem CID 167732628) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
PubChem CID167732628
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine
SMILESNCC1C[C@@H]2C[C@H](C1)N2
InChIInChI=1S/C7H14N2/c8-4-5-1-6-3-7(2-5)9-6/h5-7,9H,1-4,8H2/t5?,6-,7+
InChIKeyCWKXFJMKITVIGU-DGUCWDHESA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-6-(hydroxymethyl)piperidin-2-yl]methanol
CID 134359902
2-(8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 79614840
azane;3-bicyclo[3.1.0]hexanylmethanamine
CID 70417036
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
CID 98469517
3-(aminomethyl)cyclobutan-1-ol;hydrochloride
CID 71651055
[(3R,5R)-3,5-dimethylcyclohexyl]methanamine
CID 124506919
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
8-bicyclo[4.3.3]dodecanylmethanamine
CID 170362758
[3-(aminomethyl)cyclobutyl]-trifluoroboranuide
CID 55270326
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
(1R,5R)-8-azabicyclo[3.2.1]octan-3-amine
CID 98048984
(3,5-dimethoxycyclohexyl)methanamine
CID 123884100

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine?
The IUPAC name of [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine (CID 167732628) is [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine.
What is the SMILES notation for [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine?
The canonical SMILES for [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine is NCC1C[C@@H]2C[C@H](C1)N2.
What is the InChIKey of [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine?
The InChIKey is CWKXFJMKITVIGU-DGUCWDHESA-N. The full InChI is InChI=1S/C7H14N2/c8-4-5-1-6-3-7(2-5)9-6/h5-7,9H,1-4,8H2/t5?,6-,7+.
What are the key properties of [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine?
[(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-azabicyclo[3.1.1]heptan-3-yl]methanamine is sourced from PubChem (CID 167732628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).