N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine

C15H29N — CID 81017704

IUPACN-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1C1CCC(C)C(C)C1
InChIInChI=1S/C15H29N/c1-4-16-10-14-7-8-15(14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyUOKLZMZSCVAZMI-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.69
Rot. Bonds4

About N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine

N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine (PubChem CID 81017704) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
PubChem CID81017704
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1C1CCC(C)C(C)C1
InChIInChI=1S/C15H29N/c1-4-16-10-14-7-8-15(14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyUOKLZMZSCVAZMI-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
CID 163239204
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
N-[[2-(oxan-3-yl)cyclobutyl]methyl]ethanamine
CID 107138098
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
N-[[2-(2-ethylcyclohexyl)cyclohexyl]methyl]ethanamine
CID 81027467
N-[2-(ethylaminomethyl)cyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 80997645
4-(3,4-dimethylcyclohexyl)-1-(3-fluoro-4-methylcyclohexyl)-2-methylcyclohexane
CID 167048717

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine (CID 81017704) is N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1C1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine?
The InChIKey is UOKLZMZSCVAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-16-10-14-7-8-15(14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine?
N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine has a molecular weight of 223.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).