2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine

C16H31N — CID 103168801

IUPAC2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H31N/c1-4-17-16(11-14-6-5-7-14)15-9-12(2)8-13(3)10-15/h12-17H,4-11H2,1-3H3
InChIKeyXKDOUPPAGFUYBZ-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds5

About 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine

2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine (PubChem CID 103168801) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
PubChem CID103168801
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
SMILESCCNC(CC1CCC1)C1CC(C)CC(C)C1
InChIInChI=1S/C16H31N/c1-4-17-16(11-14-6-5-7-14)15-9-12(2)8-13(3)10-15/h12-17H,4-11H2,1-3H3
InChIKeyXKDOUPPAGFUYBZ-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 113362179
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
2-(3-ethoxycyclobutyl)-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 103168848
2-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-ethylethanamine
CID 104989257
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine
CID 105154227
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine (CID 103168801) is 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine is CCNC(CC1CCC1)C1CC(C)CC(C)C1.
What is the InChIKey of 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine?
The InChIKey is XKDOUPPAGFUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-17-16(11-14-6-5-7-14)15-9-12(2)8-13(3)10-15/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine?
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 103168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).