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

C14H30N2 — CID 116680240

IUPACN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CCC1CNC1)CC(C)C
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(11-12(3)4)8-7-13-9-15-10-13/h12-15H,5-11H2,1-4H3
InChIKeyHTMJRWOCXISEJW-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds8

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

N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 116680240) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID116680240
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CCC1CNC1)CC(C)C
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(11-12(3)4)8-7-13-9-15-10-13/h12-15H,5-11H2,1-4H3
InChIKeyHTMJRWOCXISEJW-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
CID 79483878
N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
CID 116679376
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-[2-[2-methylpropyl(pentan-3-yl)amino]ethyl]cyclopentan-1-amine
CID 79565294
N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)cyclopentanamine
CID 116680263
N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490780
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79489086
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
CID 79483858
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine (CID 116680240) is N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(CCC1CNC1)CC(C)C.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is HTMJRWOCXISEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2)16(11-12(3)4)8-7-13-9-15-10-13/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine?
N-[2-(azetidin-3-yl)ethyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 8 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-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 116680240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).