N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine

C18H29N3 — CID 96554182

IUPACN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
SMILESNCCN1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H29N3/c19-11-13-20-12-5-4-8-18(20)15-21(17-9-10-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15,19H2/t18-/m1/s1
InChIKeyILXFOKGQODVSAD-GOSISDBHSA-N
MW287.45 g/mol
LogP2.46
Rot. Bonds7

About N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine

N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine (PubChem CID 96554182) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine.

Molecular Properties

Compound NameN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
PubChem CID96554182
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine
SMILESNCCN1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H29N3/c19-11-13-20-12-5-4-8-18(20)15-21(17-9-10-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15,19H2/t18-/m1/s1
InChIKeyILXFOKGQODVSAD-GOSISDBHSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine 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-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-4-amine
CID 71301853
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
CID 66565065
2-amino-1-[2-[[benzyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 77144158
benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
CID 96553890
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine?
The IUPAC name of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine (CID 96554182) is N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine.
What is the SMILES notation for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine?
The canonical SMILES for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine is NCCN1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1.
What is the InChIKey of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine?
The InChIKey is ILXFOKGQODVSAD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29N3/c19-11-13-20-12-5-4-8-18(20)15-21(17-9-10-17)14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15,19H2/t18-/m1/s1.
What are the key properties of N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine?
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-benzylcyclopropanamine is sourced from PubChem (CID 96554182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).