N-propylazepan-1-amine

C9H20N2 — CID 18920

IUPACN-propylazepan-1-amine
SMILESCCCNN1CCCCCC1
InChIInChI=1S/C9H20N2/c1-2-7-10-11-8-5-3-4-6-9-11/h10H,2-9H2,1H3
InChIKeyAOGPNSGQLBQHHH-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.78
Rot. Bonds3

About N-propylazepan-1-amine

N-propylazepan-1-amine (PubChem CID 18920) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-propylazepan-1-amine.

Molecular Properties

Compound NameN-propylazepan-1-amine
PubChem CID18920
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-propylazepan-1-amine
SMILESCCCNN1CCCCCC1
InChIInChI=1S/C9H20N2/c1-2-7-10-11-8-5-3-4-6-9-11/h10H,2-9H2,1H3
InChIKeyAOGPNSGQLBQHHH-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propylazepan-1-amine?
The IUPAC name of N-propylazepan-1-amine (CID 18920) is N-propylazepan-1-amine.
What is the SMILES notation for N-propylazepan-1-amine?
The canonical SMILES for N-propylazepan-1-amine is CCCNN1CCCCCC1.
What is the InChIKey of N-propylazepan-1-amine?
The InChIKey is AOGPNSGQLBQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-7-10-11-8-5-3-4-6-9-11/h10H,2-9H2,1H3.
What are the key properties of N-propylazepan-1-amine?
N-propylazepan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylazepan-1-amine is sourced from PubChem (CID 18920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).