N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine

C15H27N3 — CID 141153211

IUPACN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine
SMILESCN1CCN(CCCN(C)C2=CC=CCC2)CC1
InChIInChI=1S/C15H27N3/c1-16-11-13-18(14-12-16)10-6-9-17(2)15-7-4-3-5-8-15/h3-4,7H,5-6,8-14H2,1-2H3
InChIKeyBWCQUUATHYBALW-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine

N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine (PubChem CID 141153211) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine
PubChem CID141153211
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine
SMILESCN1CCN(CCCN(C)C2=CC=CCC2)CC1
InChIInChI=1S/C15H27N3/c1-16-11-13-18(14-12-16)10-6-9-17(2)15-7-4-3-5-8-15/h3-4,7H,5-6,8-14H2,1-2H3
InChIKeyBWCQUUATHYBALW-UHFFFAOYSA-N
XLogP1.79
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412
1-[5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4-propylpiperazine
CID 150227599
4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1,2-dimethylpiperazine
CID 150487981

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine (CID 141153211) is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine is CN1CCN(CCCN(C)C2=CC=CCC2)CC1.
What is the InChIKey of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is BWCQUUATHYBALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-16-11-13-18(14-12-16)10-6-9-17(2)15-7-4-3-5-8-15/h3-4,7H,5-6,8-14H2,1-2H3.
What are the key properties of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine?
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 249.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 141153211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).