1-(azepan-2-ylmethyl)cyclopropan-1-amine

C10H20N2 — CID 84653221

IUPAC1-(azepan-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2CCCCCN2)CC1
InChIInChI=1S/C10H20N2/c11-10(5-6-10)8-9-4-2-1-3-7-12-9/h9,12H,1-8,11H2
InChIKeyBOYPRJPQGGYWKO-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.40
Rot. Bonds2

About 1-(azepan-2-ylmethyl)cyclopropan-1-amine

1-(azepan-2-ylmethyl)cyclopropan-1-amine (PubChem CID 84653221) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(azepan-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(azepan-2-ylmethyl)cyclopropan-1-amine
PubChem CID84653221
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(azepan-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2CCCCCN2)CC1
InChIInChI=1S/C10H20N2/c11-10(5-6-10)8-9-4-2-1-3-7-12-9/h9,12H,1-8,11H2
InChIKeyBOYPRJPQGGYWKO-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
2-(fluoromethyl)azocane
CID 170142115
[(2S)-azepan-2-yl]methanol
CID 870731
2-[(3-cyclobutyloxetan-3-yl)methyl]piperidine
CID 116871110
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
[(2S)-azepan-2-yl]methanol;hydrochloride
CID 163198382
2-(cycloheptylmethyl)piperidine
CID 79006754
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(azepan-2-ylmethyl)cyclopropan-1-amine (CID 84653221) is 1-(azepan-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(azepan-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(azepan-2-ylmethyl)cyclopropan-1-amine is NC1(CC2CCCCCN2)CC1.
What is the InChIKey of 1-(azepan-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is BOYPRJPQGGYWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-10(5-6-10)8-9-4-2-1-3-7-12-9/h9,12H,1-8,11H2.
What are the key properties of 1-(azepan-2-ylmethyl)cyclopropan-1-amine?
1-(azepan-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 84653221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).