N-hexylazepan-1-amine

C12H26N2 — CID 70432131

IUPACN-hexylazepan-1-amine
SMILESCCCCCCNN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-2-3-4-7-10-13-14-11-8-5-6-9-12-14/h13H,2-12H2,1H3
InChIKeyDTNSIIBPWGVFFV-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.95
Rot. Bonds6

About N-hexylazepan-1-amine

N-hexylazepan-1-amine (PubChem CID 70432131) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-hexylazepan-1-amine.

Molecular Properties

Compound NameN-hexylazepan-1-amine
PubChem CID70432131
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-hexylazepan-1-amine
SMILESCCCCCCNN1CCCCCC1
InChIInChI=1S/C12H26N2/c1-2-3-4-7-10-13-14-11-8-5-6-9-12-14/h13H,2-12H2,1H3
InChIKeyDTNSIIBPWGVFFV-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexylazepan-1-amine?
The IUPAC name of N-hexylazepan-1-amine (CID 70432131) is N-hexylazepan-1-amine.
What is the SMILES notation for N-hexylazepan-1-amine?
The canonical SMILES for N-hexylazepan-1-amine is CCCCCCNN1CCCCCC1.
What is the InChIKey of N-hexylazepan-1-amine?
The InChIKey is DTNSIIBPWGVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-7-10-13-14-11-8-5-6-9-12-14/h13H,2-12H2,1H3.
What are the key properties of N-hexylazepan-1-amine?
N-hexylazepan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylazepan-1-amine is sourced from PubChem (CID 70432131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).