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

C9H18N2 — CID 79671286

IUPAC2-(azepan-1-yl)cyclopropan-1-amine
SMILESNC1CC1N1CCCCCC1
InChIInChI=1S/C9H18N2/c10-8-7-9(8)11-5-3-1-2-4-6-11/h8-9H,1-7,10H2
InChIKeyDGQWSPONXXYIBL-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds1

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

2-(azepan-1-yl)cyclopropan-1-amine (PubChem CID 79671286) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(azepan-1-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)cyclopropan-1-amine
PubChem CID79671286
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(azepan-1-yl)cyclopropan-1-amine
SMILESNC1CC1N1CCCCCC1
InChIInChI=1S/C9H18N2/c10-8-7-9(8)11-5-3-1-2-4-6-11/h8-9H,1-7,10H2
InChIKeyDGQWSPONXXYIBL-UHFFFAOYSA-N
XLogP0.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)cyclopropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)cyclopropan-1-amine (CID 79671286) is 2-(azepan-1-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)cyclopropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)cyclopropan-1-amine is NC1CC1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)cyclopropan-1-amine?
The InChIKey is DGQWSPONXXYIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-8-7-9(8)11-5-3-1-2-4-6-11/h8-9H,1-7,10H2.
What are the key properties of 2-(azepan-1-yl)cyclopropan-1-amine?
2-(azepan-1-yl)cyclopropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)cyclopropan-1-amine is sourced from PubChem (CID 79671286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).