[3-(4-methylpentyl)azetidin-3-yl]methanamine

C10H22N2 — CID 167294582

IUPAC[3-(4-methylpentyl)azetidin-3-yl]methanamine
SMILESCC(C)CCCC1(CN)CNC1
InChIInChI=1S/C10H22N2/c1-9(2)4-3-5-10(6-11)7-12-8-10/h9,12H,3-8,11H2,1-2H3
InChIKeyPETXUWOEHOWHGU-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds5

About [3-(4-methylpentyl)azetidin-3-yl]methanamine

[3-(4-methylpentyl)azetidin-3-yl]methanamine (PubChem CID 167294582) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is [3-(4-methylpentyl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylpentyl)azetidin-3-yl]methanamine
PubChem CID167294582
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name[3-(4-methylpentyl)azetidin-3-yl]methanamine
SMILESCC(C)CCCC1(CN)CNC1
InChIInChI=1S/C10H22N2/c1-9(2)4-3-5-10(6-11)7-12-8-10/h9,12H,3-8,11H2,1-2H3
InChIKeyPETXUWOEHOWHGU-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpentyl)azetidin-3-yl]methanamine?
The IUPAC name of [3-(4-methylpentyl)azetidin-3-yl]methanamine (CID 167294582) is [3-(4-methylpentyl)azetidin-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylpentyl)azetidin-3-yl]methanamine?
The canonical SMILES for [3-(4-methylpentyl)azetidin-3-yl]methanamine is CC(C)CCCC1(CN)CNC1.
What is the InChIKey of [3-(4-methylpentyl)azetidin-3-yl]methanamine?
The InChIKey is PETXUWOEHOWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)4-3-5-10(6-11)7-12-8-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of [3-(4-methylpentyl)azetidin-3-yl]methanamine?
[3-(4-methylpentyl)azetidin-3-yl]methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpentyl)azetidin-3-yl]methanamine is sourced from PubChem (CID 167294582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).