1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine

C12H24N2 — CID 130874854

IUPAC1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
SMILESCCC1CCCCC1CN1CC(N)C1
InChIInChI=1S/C12H24N2/c1-2-10-5-3-4-6-11(10)7-14-8-12(13)9-14/h10-12H,2-9,13H2,1H3
InChIKeyNDXPJFPAVZSHFL-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.85
Rot. Bonds3

About 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine

1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine (PubChem CID 130874854) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
PubChem CID130874854
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine
SMILESCCC1CCCCC1CN1CC(N)C1
InChIInChI=1S/C12H24N2/c1-2-10-5-3-4-6-11(10)7-14-8-12(13)9-14/h10-12H,2-9,13H2,1H3
InChIKeyNDXPJFPAVZSHFL-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 141194202
CID 160611346
CID 160611346
[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 79181049
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 69043221
2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
CID 62614630
2-(2-ethylcyclohexyl)cycloheptan-1-amine
CID 63861150
2-[(2-ethylmorpholin-4-yl)methyl]cyclohexan-1-amine
CID 62614413
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79688129

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine (CID 130874854) is 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine is CCC1CCCCC1CN1CC(N)C1.
What is the InChIKey of 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine?
The InChIKey is NDXPJFPAVZSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-10-5-3-4-6-11(10)7-14-8-12(13)9-14/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine?
1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylcyclohexyl)methyl]azetidin-3-amine is sourced from PubChem (CID 130874854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).