1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine

C12H24N2 — CID 80559999

IUPAC1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
SMILESCCC1CCCCC1NC1CC(N)C1
InChIInChI=1S/C12H24N2/c1-2-9-5-3-4-6-12(9)14-11-7-10(13)8-11/h9-12,14H,2-8,13H2,1H3
InChIKeyIJJDLFIPYXJTSX-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.03
Rot. Bonds3

About 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine

1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine (PubChem CID 80559999) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
PubChem CID80559999
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
SMILESCCC1CCCCC1NC1CC(N)C1
InChIInChI=1S/C12H24N2/c1-2-9-5-3-4-6-12(9)14-11-7-10(13)8-11/h9-12,14H,2-8,13H2,1H3
InChIKeyIJJDLFIPYXJTSX-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(3-methoxycyclobutyl)cyclohexan-1-amine
CID 104584298
[2-[(3-aminocyclobutyl)amino]cyclopentyl]methanol
CID 106359486
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
N-(2-ethylcyclohexyl)-1-methylazetidin-3-amine
CID 131160327
N-(3,3-dimethylcyclobutyl)-2-ethylcyclopentan-1-amine
CID 130685162
N-(2-ethylcyclohexyl)-1,2-dimethylpiperidin-4-amine
CID 81296650
N-(2-ethylcyclohexyl)azepan-4-amine
CID 103981213
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
N-(2-ethylcyclopropyl)cyclooctanamine
CID 103783809
3-N-(3-ethyl-2-methylcyclopentyl)cyclopentane-1,3-diamine
CID 79462176
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine (CID 80559999) is 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine is CCC1CCCCC1NC1CC(N)C1.
What is the InChIKey of 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine?
The InChIKey is IJJDLFIPYXJTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-9-5-3-4-6-12(9)14-11-7-10(13)8-11/h9-12,14H,2-8,13H2,1H3.
What are the key properties of 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine?
1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).