N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

C18H28N2 — CID 62423584

IUPACN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C18H28N2/c1-14-8-15(2)12-20(11-14)13-17-5-3-4-16(9-17)10-19-18-6-7-18/h3-5,9,14-15,18-19H,6-8,10-13H2,1-2H3
InChIKeyROBWFOMTAFDPKH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.42
Rot. Bonds5

About N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62423584) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62423584
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1CC(C)CN(Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C18H28N2/c1-14-8-15(2)12-20(11-14)13-17-5-3-4-16(9-17)10-19-18-6-7-18/h3-5,9,14-15,18-19H,6-8,10-13H2,1-2H3
InChIKeyROBWFOMTAFDPKH-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine 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,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62412416
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
2-[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]ethanethioamide
CID 82135747
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62432060
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62423584) is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is CC1CC(C)CN(Cc2cccc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ROBWFOMTAFDPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-8-15(2)12-20(11-14)13-17-5-3-4-16(9-17)10-19-18-6-7-18/h3-5,9,14-15,18-19H,6-8,10-13H2,1-2H3.
What are the key properties of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62423584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).