N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine

C15H30N2 — CID 81315317

IUPACN-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
SMILESCCCN(C1CNC1)C1CCC(C)(C)CC1C
InChIInChI=1S/C15H30N2/c1-5-8-17(13-10-16-11-13)14-6-7-15(3,4)9-12(14)2/h12-14,16H,5-11H2,1-4H3
InChIKeyQFKPVKSIAIEKPJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds4

About N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine

N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine (PubChem CID 81315317) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
PubChem CID81315317
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
SMILESCCCN(C1CNC1)C1CCC(C)(C)CC1C
InChIInChI=1S/C15H30N2/c1-5-8-17(13-10-16-11-13)14-6-7-15(3,4)9-12(14)2/h12-14,16H,5-11H2,1-4H3
InChIKeyQFKPVKSIAIEKPJ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine?
The IUPAC name of N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine (CID 81315317) is N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine.
What is the SMILES notation for N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine?
The canonical SMILES for N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine is CCCN(C1CNC1)C1CCC(C)(C)CC1C.
What is the InChIKey of N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine?
The InChIKey is QFKPVKSIAIEKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-8-17(13-10-16-11-13)14-6-7-15(3,4)9-12(14)2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine?
N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine is sourced from PubChem (CID 81315317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).