N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

C22H31N3S — CID 91833865

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(CCN2CCN(Cc3ccccc3)CC2)C2CC2)s1
InChIInChI=1S/C22H31N3S/c1-19-7-10-22(26-19)18-25(21-8-9-21)16-15-23-11-13-24(14-12-23)17-20-5-3-2-4-6-20/h2-7,10,21H,8-9,11-18H2,1H3
InChIKeyDBWZXOAHPHOXLR-UHFFFAOYSA-N
MW369.58 g/mol
LogP3.84
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 91833865) has the molecular formula C22H31N3S and a molecular weight of 369.58 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID91833865
Molecular FormulaC22H31N3S
Molecular Weight369.58 g/mol
Exact Mass369.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(CCN2CCN(Cc3ccccc3)CC2)C2CC2)s1
InChIInChI=1S/C22H31N3S/c1-19-7-10-22(26-19)18-25(21-8-9-21)16-15-23-11-13-24(14-12-23)17-20-5-3-2-4-6-20/h2-7,10,21H,8-9,11-18H2,1H3
InChIKeyDBWZXOAHPHOXLR-UHFFFAOYSA-N
XLogP3.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)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

1-[(5-methylthiophen-2-yl)methyl]-4-(2-phenylethyl)piperazine
CID 3642631
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 74232126
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
N-benzyl-2-[cyclohexylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 46124195
1-(1-adamantyl)-6-(4-benzylpiperazin-1-yl)hexan-1-one
CID 159570158
5-[[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-N,N-dimethylpyridin-2-amine
CID 135103518
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1059817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (CID 91833865) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccc(CN(CCN2CCN(Cc3ccccc3)CC2)C2CC2)s1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is DBWZXOAHPHOXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3S/c1-19-7-10-22(26-19)18-25(21-8-9-21)16-15-23-11-13-24(14-12-23)17-20-5-3-2-4-6-20/h2-7,10,21H,8-9,11-18H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 369.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 91833865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).