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

C10H22N2 — CID 116679376

IUPACN-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCC1CNC1
InChIInChI=1S/C10H22N2/c1-4-9(2)12(3)6-5-10-7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyHSZDDLUUKKWZEE-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.33
Rot. Bonds5

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

N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine (PubChem CID 116679376) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
PubChem CID116679376
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)CCC1CNC1
InChIInChI=1S/C10H22N2/c1-4-9(2)12(3)6-5-10-7-11-8-10/h9-11H,4-8H2,1-3H3
InChIKeyHSZDDLUUKKWZEE-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine
CID 116680240
N-[2-(azetidin-3-yl)ethyl]-N-methylpentan-1-amine
CID 116679385
N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 116679847
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 116679616
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 103814267
N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
CID 116680263
2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
CID 107392075
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
CID 116679937
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
3-butylazetidine
CID 20827268
3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 116679782

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine (CID 116679376) is N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine is CCC(C)N(C)CCC1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine?
The InChIKey is HSZDDLUUKKWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-9(2)12(3)6-5-10-7-11-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine?
N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine is sourced from PubChem (CID 116679376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).