1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine

C17H35N — CID 104989051

IUPAC1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-17(18-4)16-12-14(2)11-15(3)13-16/h14-18H,5-13H2,1-4H3
InChIKeyIUAGYGGBCDMKRD-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

About 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine

1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine (PubChem CID 104989051) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
PubChem CID104989051
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)C1CC(C)CC(C)C1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-10-17(18-4)16-12-14(2)11-15(3)13-16/h14-18H,5-13H2,1-4H3
InChIKeyIUAGYGGBCDMKRD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
CID 115998056
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-(3,5-dimethylcyclohexyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105154329
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
1-(3,5-dimethylcyclohexyl)-N-methyl-2-propoxyethanamine
CID 64728708
1-(3,5-dimethylcyclohexyl)-N,2-dimethylhexan-1-amine
CID 114246446
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
4-ethoxy-N-methyl-1-(4-methylcyclohexyl)butan-1-amine
CID 105153728
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine (CID 104989051) is 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine is CCCCCCCC(NC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine?
The InChIKey is IUAGYGGBCDMKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-10-17(18-4)16-12-14(2)11-15(3)13-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine?
1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine is sourced from PubChem (CID 104989051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).