1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine

C14H28N2 — CID 79842509

IUPAC1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)CC1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h13H,2-12,15H2,1H3
InChIKeyKURMCQCPTIAWTB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine

1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine (PubChem CID 79842509) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
PubChem CID79842509
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
SMILESCN(CCC1(N)CCC1)CC1CCCCC1
InChIInChI=1S/C14H28N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h13H,2-12,15H2,1H3
InChIKeyKURMCQCPTIAWTB-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopentylmethyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79841858
1-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]cyclopentan-1-amine
CID 64681854
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844694
2-[1-(aminomethyl)cyclobutyl]-N-(cyclobutylmethyl)-N-methylethanamine
CID 81171568
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679700
N-[2-(1-aminocyclohexyl)ethyl]-N-methylcycloheptanamine
CID 64678090
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-[2-(1-aminocyclobutyl)ethyl]-N-cyclohexylcyclohexanamine
CID 79842260
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241545
[1-amino-2-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclopentyl]methanol
CID 79571249
N-[2-(1-aminocyclobutyl)ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79842952
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine (CID 79842509) is 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine is CN(CCC1(N)CCC1)CC1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine?
The InChIKey is KURMCQCPTIAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-16(11-10-14(15)8-5-9-14)12-13-6-3-2-4-7-13/h13H,2-12,15H2,1H3.
What are the key properties of 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine?
1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexylmethyl(methyl)amino]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79842509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).