N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

C20H39N — CID 65423231

IUPACN-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C20H39N/c1-6-21-20(19-12-15(4)11-16(5)13-19)18-9-7-17(8-10-18)14(2)3/h14-21H,6-13H2,1-5H3
InChIKeyCHVYURVJXMFUNS-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.50
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 65423231) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID65423231
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1
InChIInChI=1S/C20H39N/c1-6-21-20(19-12-15(4)11-16(5)13-19)18-9-7-17(8-10-18)14(2)3/h14-21H,6-13H2,1-5H3
InChIKeyCHVYURVJXMFUNS-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423221
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 65411512
N-[(3-methylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 63936484
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
CID 114981006
4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64729558
2-cyclobutyl-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 103168801
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[cyclohexyl-(2-methylcyclopropyl)methyl]ethanamine
CID 65420198
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64984309

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 65423231) is N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is CCNC(C1CCC(C(C)C)CC1)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is CHVYURVJXMFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-6-21-20(19-12-15(4)11-16(5)13-19)18-9-7-17(8-10-18)14(2)3/h14-21H,6-13H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine has a molecular weight of 293.54 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 65423231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).