3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine

C19H31N3 — CID 155035289

IUPAC3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESCc1cccc(N2CCN(CCC3CC(N)C3)CC2C)c1C
InChIInChI=1S/C19H31N3/c1-14-5-4-6-19(16(14)3)22-10-9-21(13-15(22)2)8-7-17-11-18(20)12-17/h4-6,15,17-18H,7-13,20H2,1-3H3
InChIKeyNPMQEDZSFLQIKU-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.94
Rot. Bonds4

About 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine

3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 155035289) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID155035289
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine
SMILESCc1cccc(N2CCN(CCC3CC(N)C3)CC2C)c1C
InChIInChI=1S/C19H31N3/c1-14-5-4-6-19(16(14)3)22-10-9-21(13-15(22)2)8-7-17-11-18(20)12-17/h4-6,15,17-18H,7-13,20H2,1-3H3
InChIKeyNPMQEDZSFLQIKU-UHFFFAOYSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-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

4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
CID 175137576
4-[2-[(3R)-4-(2,3-dichloro-4-deuteriophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
CID 156704239
1-(2,3-dimethylphenyl)-N-ethyl-2-methylpiperidin-4-amine
CID 54975580
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
3-[4-[2-[(3S)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704364
N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 175603643
4-(2-cyclohexylethyl)-1-(2,3-dimethylphenyl)-5,6-dimethyl-1,4-diazepane
CID 142995321
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
(4aS)-3-(2-fluoroethyl)-8-methyl-1,2,4,4a,5,6-hexahydropyrazino[2,1-d][1,5]benzoxazepine
CID 87324005
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine (CID 155035289) is 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine is Cc1cccc(N2CCN(CCC3CC(N)C3)CC2C)c1C.
What is the InChIKey of 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is NPMQEDZSFLQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-14-5-4-6-19(16(14)3)22-10-9-21(13-15(22)2)8-7-17-11-18(20)12-17/h4-6,15,17-18H,7-13,20H2,1-3H3.
What are the key properties of 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine?
3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dimethylphenyl)-3-methylpiperazin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 155035289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).