N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine

C18H34N2 — CID 79842260

IUPACN-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine
SMILESNC1(CCN(C2CCCCC2)C2CCCCC2)CCC1
InChIInChI=1S/C18H34N2/c19-18(12-7-13-18)14-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h16-17H,1-15,19H2
InChIKeyWJBBRPXPSDTFBS-UHFFFAOYSA-N
MW278.48 g/mol
LogP4.23
Rot. Bonds5

About N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine

N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine (PubChem CID 79842260) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine
PubChem CID79842260
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine
SMILESNC1(CCN(C2CCCCC2)C2CCCCC2)CCC1
InChIInChI=1S/C18H34N2/c19-18(12-7-13-18)14-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h16-17H,1-15,19H2
InChIKeyWJBBRPXPSDTFBS-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842509
1-[2-[cyclopentylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79841858
N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79842952
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
N'-cyclohexyl-N'-cyclopropylpropane-1,3-diamine
CID 43137536
3-[(dicyclohexylamino)methyl]oxolan-3-amine
CID 64893218
N'-cyclobutyl-N'-cyclopentylpropane-1,3-diamine
CID 102874978
N-[(1-aminocyclopentyl)methyl]-N-ethylcyclohexanamine
CID 60852825
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
CID 81169270

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine?
The IUPAC name of N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine (CID 79842260) is N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine is NC1(CCN(C2CCCCC2)C2CCCCC2)CCC1.
What is the InChIKey of N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine?
The InChIKey is WJBBRPXPSDTFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c19-18(12-7-13-18)14-15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h16-17H,1-15,19H2.
What are the key properties of N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine?
N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine has a molecular weight of 278.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 79842260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).