N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine

C17H28N2 — CID 115375691

IUPACN-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2cncc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-4-5-14-6-7-15(11-18-3)17(9-14)16-8-13(2)10-19-12-16/h8,10,12,14-15,17-18H,4-7,9,11H2,1-3H3
InChIKeyHVUZBWPVFUKTCD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine

N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine (PubChem CID 115375691) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
PubChem CID115375691
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CNC)C(c2cncc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-4-5-14-6-7-15(11-18-3)17(9-14)16-8-13(2)10-19-12-16/h8,10,12,14-15,17-18H,4-7,9,11H2,1-3H3
InChIKeyHVUZBWPVFUKTCD-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375685
1-[2-(3,5-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029451
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
N-[[2-(5-fluoro-3-pyridinyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81034887
1-[2-(3,4-difluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029742
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375702
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
N-[[2-(3-methylphenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029457
1-[2-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81033230
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
4-ethyl-2-(5-methyl-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 113297402

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine (CID 115375691) is N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CNC)C(c2cncc(C)c2)C1.
What is the InChIKey of N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine?
The InChIKey is HVUZBWPVFUKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-14-6-7-15(11-18-3)17(9-14)16-8-13(2)10-19-12-16/h8,10,12,14-15,17-18H,4-7,9,11H2,1-3H3.
What are the key properties of N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine?
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 115375691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).