N-(azetidin-3-ylmethyl)hexan-1-amine

C10H22N2 — CID 175786912

IUPACN-(azetidin-3-ylmethyl)hexan-1-amine
SMILESCCCCCCNCC1CNC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-11-7-10-8-12-9-10/h10-12H,2-9H2,1H3
InChIKeyKUUXIQKMEQFZLW-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.38
Rot. Bonds7

About N-(azetidin-3-ylmethyl)hexan-1-amine

N-(azetidin-3-ylmethyl)hexan-1-amine (PubChem CID 175786912) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)hexan-1-amine
PubChem CID175786912
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(azetidin-3-ylmethyl)hexan-1-amine
SMILESCCCCCCNCC1CNC1
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-11-7-10-8-12-9-10/h10-12H,2-9H2,1H3
InChIKeyKUUXIQKMEQFZLW-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-4-ylmethyl)pentadecan-1-amine;dihydrochloride
CID 11696932
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-[(4-methylcyclohexyl)methyl]decan-1-amine
CID 63490905
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
3-hexylazetidine
CID 79452100
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)hexan-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)hexan-1-amine (CID 175786912) is N-(azetidin-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)hexan-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)hexan-1-amine is CCCCCCNCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)hexan-1-amine?
The InChIKey is KUUXIQKMEQFZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-6-11-7-10-8-12-9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)hexan-1-amine?
N-(azetidin-3-ylmethyl)hexan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 175786912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).