1-propan-2-ylazepan-4-amine

C9H20N2 — CID 58464871

IUPAC1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N)CC1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-3-4-9(10)5-7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyNPTFUEOXDCOHHR-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds1

About 1-propan-2-ylazepan-4-amine

1-propan-2-ylazepan-4-amine (PubChem CID 58464871) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound Name1-propan-2-ylazepan-4-amine
PubChem CID58464871
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(N)CC1
InChIInChI=1S/C9H20N2/c1-8(2)11-6-3-4-9(10)5-7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyNPTFUEOXDCOHHR-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazepan-4-amine?
The IUPAC name of 1-propan-2-ylazepan-4-amine (CID 58464871) is 1-propan-2-ylazepan-4-amine.
What is the SMILES notation for 1-propan-2-ylazepan-4-amine?
The canonical SMILES for 1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(N)CC1.
What is the InChIKey of 1-propan-2-ylazepan-4-amine?
The InChIKey is NPTFUEOXDCOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)11-6-3-4-9(10)5-7-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-propan-2-ylazepan-4-amine?
1-propan-2-ylazepan-4-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 58464871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).