N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine

C17H28N2 — CID 63637242

IUPACN-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(C)cc(C)c1)C1CCCNC1
InChIInChI=1S/C17H28N2/c1-4-8-19(17-6-5-7-18-12-17)13-16-10-14(2)9-15(3)11-16/h9-11,17-18H,4-8,12-13H2,1-3H3
InChIKeyMDSIJZPUETYTLK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.27
Rot. Bonds5

About N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine

N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63637242) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID63637242
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(C)cc(C)c1)C1CCCNC1
InChIInChI=1S/C17H28N2/c1-4-8-19(17-6-5-7-18-12-17)13-16-10-14(2)9-15(3)11-16/h9-11,17-18H,4-8,12-13H2,1-3H3
InChIKeyMDSIJZPUETYTLK-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-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

N-propyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-3-amine
CID 63637073
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-3-amine
CID 63636731
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-[(3-bromo-5-nitrophenyl)methyl]-N-propylpiperidin-3-amine
CID 103351310
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine (CID 63637242) is N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cc(C)cc(C)c1)C1CCCNC1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is MDSIJZPUETYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-8-19(17-6-5-7-18-12-17)13-16-10-14(2)9-15(3)11-16/h9-11,17-18H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine?
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63637242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).