N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine

C10H22N2 — CID 116679937

IUPACN-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCC1CNC1
InChIInChI=1S/C10H22N2/c1-3-9(2)6-11-5-4-10-7-12-8-10/h9-12H,3-8H2,1-2H3
InChIKeyYAOFFUCBKOBBON-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.23
Rot. Bonds6

About N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine

N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine (PubChem CID 116679937) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
PubChem CID116679937
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCCC1CNC1
InChIInChI=1S/C10H22N2/c1-3-9(2)6-11-5-4-10-7-12-8-10/h9-12H,3-8H2,1-2H3
InChIKeyYAOFFUCBKOBBON-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.23
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

Diisoamylamine
CID 10988
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
1,4-Butanediamine, N,N'-diisobutyl-
CID 35877
1,4-Butanediamine, N-isobutyl-
CID 56050
1,4-Butanediamine, N-isopentyl-
CID 56229
2-(1-Methylazetidin-3-yl)ethan-1-amine
CID 75355386
N-(3-methylbutyl)pentane-1,5-diamine
CID 204875
Diisopentylammonium chloride
CID 71095
1,8-Diamino-2-methyl-4-azaoctane
CID 53363062
2,3-Dimethylazetidine
CID 55256068
Di-iso-amylammoniumchlorid
CID 129633105
1,5,9-Triazabicyclo[9.1.1]tridecane
CID 18323620

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine (CID 116679937) is N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine is CCC(C)CNCCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine?
The InChIKey is YAOFFUCBKOBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-9(2)6-11-5-4-10-7-12-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine?
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 116679937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).