3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine

C19H39N — CID 65423977

IUPAC3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCC(CCC)CC1
InChIInChI=1S/C19H39N/c1-5-8-16(4)15-19(20-14-7-3)18-12-10-17(9-6-2)11-13-18/h16-20H,5-15H2,1-4H3
InChIKeyRZKOUQFMVRVWEA-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.79
Rot. Bonds10

About 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine

3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine (PubChem CID 65423977) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
PubChem CID65423977
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCC(CCC)CC1
InChIInChI=1S/C19H39N/c1-5-8-16(4)15-19(20-14-7-3)18-12-10-17(9-6-2)11-13-18/h16-20H,5-15H2,1-4H3
InChIKeyRZKOUQFMVRVWEA-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-propyl-1-[4-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138112
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
N-propyl-1-(4-propylcyclohexyl)pent-3-yn-1-amine
CID 65425333
3-methyl-1-(4-propylcyclohexyl)hexan-1-ol
CID 65424878
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
[3,5-dimethyl-1-(4-propylcyclohexyl)hexyl]hydrazine
CID 114201876
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine (CID 65423977) is 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine is CCCNC(CC(C)CCC)C1CCC(CCC)CC1.
What is the InChIKey of 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine?
The InChIKey is RZKOUQFMVRVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-5-8-16(4)15-19(20-14-7-3)18-12-10-17(9-6-2)11-13-18/h16-20H,5-15H2,1-4H3.
What are the key properties of 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine?
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine is sourced from PubChem (CID 65423977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).