1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine

C17H33N — CID 81025745

IUPAC1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCCC(C2CC(C)CCC2CNC)C1
InChIInChI=1S/C17H33N/c1-4-14-6-5-7-15(11-14)17-10-13(2)8-9-16(17)12-18-3/h13-18H,4-12H2,1-3H3
InChIKeyCJNUPKBHATZJDP-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81025745) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81025745
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCC1CCCC(C2CC(C)CCC2CNC)C1
InChIInChI=1S/C17H33N/c1-4-14-6-5-7-15(11-14)17-10-13(2)8-9-16(17)12-18-3/h13-18H,4-12H2,1-3H3
InChIKeyCJNUPKBHATZJDP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192
2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
CID 81014609
1-[2-(3,4-dimethylcyclohexyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031403
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81026190
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
N-[[2-(3-methylcyclohexyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81034865
4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 81014827
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine (CID 81025745) is 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine is CCC1CCCC(C2CC(C)CCC2CNC)C1.
What is the InChIKey of 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is CJNUPKBHATZJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-14-6-5-7-15(11-14)17-10-13(2)8-9-16(17)12-18-3/h13-18H,4-12H2,1-3H3.
What are the key properties of 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 251.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).