N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine

C18H29N3 — CID 62120512

IUPACN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(CC3CC3)CC2)c(C)c1
InChIInChI=1S/C18H29N3/c1-3-19-13-17-6-7-18(15(2)12-17)21-10-8-20(9-11-21)14-16-4-5-16/h6-7,12,16,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyLMGCDJPWEIZMRV-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds6

About N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine

N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine (PubChem CID 62120512) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
PubChem CID62120512
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCN(CC3CC3)CC2)c(C)c1
InChIInChI=1S/C18H29N3/c1-3-19-13-17-6-7-18(15(2)12-17)21-10-8-20(9-11-21)14-16-4-5-16/h6-7,12,16,19H,3-5,8-11,13-14H2,1-2H3
InChIKeyLMGCDJPWEIZMRV-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine 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-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
CID 63785404
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
N-[[4-(4-butan-2-ylpiperazin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62775219
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methyl]ethanamine
CID 62121210
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726
N-[[3-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]ethanamine
CID 102744803

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine (CID 62120512) is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(N2CCN(CC3CC3)CC2)c(C)c1.
What is the InChIKey of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine?
The InChIKey is LMGCDJPWEIZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-13-17-6-7-18(15(2)12-17)21-10-8-20(9-11-21)14-16-4-5-16/h6-7,12,16,19H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine?
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 62120512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).