1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine

C15H30N2 — CID 65241545

IUPAC1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCN(C)CC2CCC2)CCCCC1
InChIInChI=1S/C15H30N2/c1-16-15(9-4-3-5-10-15)11-12-17(2)13-14-7-6-8-14/h14,16H,3-13H2,1-2H3
InChIKeyHLYVZXITBJZEMV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds6

About 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine

1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine (PubChem CID 65241545) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
PubChem CID65241545
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
SMILESCNC1(CCN(C)CC2CCC2)CCCCC1
InChIInChI=1S/C15H30N2/c1-16-15(9-4-3-5-10-15)11-12-17(2)13-14-7-6-8-14/h14,16H,3-13H2,1-2H3
InChIKeyHLYVZXITBJZEMV-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine (CID 65241545) is 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine is CNC1(CCN(C)CC2CCC2)CCCCC1.
What is the InChIKey of 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
The InChIKey is HLYVZXITBJZEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-16-15(9-4-3-5-10-15)11-12-17(2)13-14-7-6-8-14/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine?
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65241545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).