N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

C20H39N — CID 81033006

IUPACN-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C2CC(C)CCC2CNCC(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-17-7-10-18(11-8-17)20-12-16(4)6-9-19(20)14-21-13-15(2)3/h15-21H,5-14H2,1-4H3
InChIKeyPIRRDZSTOLRJFQ-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.50
Rot. Bonds6

About N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81033006) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81033006
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(C2CC(C)CCC2CNCC(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-17-7-10-18(11-8-17)20-12-16(4)6-9-19(20)14-21-13-15(2)3/h15-21H,5-14H2,1-4H3
InChIKeyPIRRDZSTOLRJFQ-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81032472
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
N-[[2-(2-ethylcyclohexyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033141

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81033006) is N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is CCC1CCC(C2CC(C)CCC2CNCC(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PIRRDZSTOLRJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-5-17-7-10-18(11-8-17)20-12-16(4)6-9-19(20)14-21-13-15(2)3/h15-21H,5-14H2,1-4H3.
What are the key properties of N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).