2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine

C13H24N2 — CID 106314830

IUPAC2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1=CCCN(CC2CCCCC2N)C1
InChIInChI=1S/C13H24N2/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h5,12-13H,2-4,6-10,14H2,1H3
InChIKeyJKHPNWQDJPMITN-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.16
Rot. Bonds2

About 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine

2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 106314830) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
PubChem CID106314830
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
SMILESCC1=CCCN(CC2CCCCC2N)C1
InChIInChI=1S/C13H24N2/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h5,12-13H,2-4,6-10,14H2,1H3
InChIKeyJKHPNWQDJPMITN-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314928
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 106315052
[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexyl]methanamine
CID 106314902
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885
5-methyl-1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridine
CID 130194944
2-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 62615480
2-(azepan-1-ylmethyl)cycloheptan-1-amine
CID 62616403
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclobutan-1-amine
CID 106314909
2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
CID 62614630
2-(pyrrolidin-1-ylmethyl)cyclopentan-1-amine
CID 23009063
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 106314919

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine (CID 106314830) is 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine is CC1=CCCN(CC2CCCCC2N)C1.
What is the InChIKey of 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is JKHPNWQDJPMITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h5,12-13H,2-4,6-10,14H2,1H3.
What are the key properties of 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine?
2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106314830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).