2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine

C18H37N — CID 64766423

IUPAC2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)CCC(C)C
InChIInChI=1S/C18H37N/c1-7-12-19-17-13-15(4)8-9-16(17)18(5,6)11-10-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyGYPRQYIQVVLOSM-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.25
Rot. Bonds7

About 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine

2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine (PubChem CID 64766423) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
PubChem CID64766423
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)CCC(C)C
InChIInChI=1S/C18H37N/c1-7-12-19-17-13-15(4)8-9-16(17)18(5,6)11-10-14(2)3/h14-17,19H,7-13H2,1-6H3
InChIKeyGYPRQYIQVVLOSM-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

2-(5-methoxy-2-methylpentan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
CID 64767574
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
2-(2,4-dimethylheptan-2-yl)-N,5-dimethylcyclohexan-1-amine
CID 64765922
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 64766425
5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 65102404
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 66272759
4-tert-butyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63401494
N-ethyl-5-methyl-2-[2-methyl-4-(1-methylpyrazol-4-yl)butan-2-yl]cyclohexan-1-amine
CID 103015974
N-ethyl-5-methyl-2-[2-(oxolan-3-yl)propan-2-yl]cyclohexan-1-amine
CID 64766683
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine (CID 64766423) is 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CCC1C(C)(C)CCC(C)C.
What is the InChIKey of 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
The InChIKey is GYPRQYIQVVLOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-7-12-19-17-13-15(4)8-9-16(17)18(5,6)11-10-14(2)3/h14-17,19H,7-13H2,1-6H3.
What are the key properties of 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine?
2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).