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

C20H39N — CID 81026255

IUPACN-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1C1CCC(C)C(C)C1
InChIInChI=1S/C20H39N/c1-6-21-13-19-10-9-17(14(2)3)12-20(19)18-8-7-15(4)16(5)11-18/h14-21H,6-13H2,1-5H3
InChIKeyGRYAYZAFLBTHDD-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.36
Rot. Bonds5

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

N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 81026255) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID81026255
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1C1CCC(C)C(C)C1
InChIInChI=1S/C20H39N/c1-6-21-13-19-10-9-17(14(2)3)12-20(19)18-8-7-15(4)16(5)11-18/h14-21H,6-13H2,1-5H3
InChIKeyGRYAYZAFLBTHDD-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,4-dimethylcyclohexyl)cyclobutyl]methyl]ethanamine
CID 81017704
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029701
N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026249
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
CID 163239204
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 81026255) is N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1C1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is GRYAYZAFLBTHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-6-21-13-19-10-9-17(14(2)3)12-20(19)18-8-7-15(4)16(5)11-18/h14-21H,6-13H2,1-5H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 293.54 g/mol, XLogP of 5.36, 5 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)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81026255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).