4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine

C13H26N2 — CID 79686955

IUPAC4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCC2C)CC1
InChIInChI=1S/C13H26N2/c1-3-9-14-12-4-6-13(7-5-12)15-10-8-11(15)2/h11-14H,3-10H2,1-2H3
InChIKeyCUBPUZOEZVGTJY-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds4

About 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine

4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 79686955) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
PubChem CID79686955
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(N2CCC2C)CC1
InChIInChI=1S/C13H26N2/c1-3-9-14-12-4-6-13(7-5-12)15-10-8-11(15)2/h11-14H,3-10H2,1-2H3
InChIKeyCUBPUZOEZVGTJY-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-methyl-N-propylpyrrolidin-3-amine
CID 115704306
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
4-(3-methylazetidin-1-yl)-N-propylcyclohexan-1-amine
CID 79687379
N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 114763027
4-(4,4-diethylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 114763283
4-(4-propan-2-ylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763375
N-ethyl-3-(2-methylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79644126
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
1-[4-(propylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653818
4-(2,5-dimethylpyrrol-1-yl)-N-propylcyclohexan-1-amine
CID 62793221
4-(4-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 114763370
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propylcyclohexan-1-amine
CID 43653701

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine (CID 79686955) is 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(N2CCC2C)CC1.
What is the InChIKey of 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is CUBPUZOEZVGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-9-14-12-4-6-13(7-5-12)15-10-8-11(15)2/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine?
4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazetidin-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79686955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).