N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine

C14H27N3 — CID 103277014

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine
SMILESCC1=CC(C)CC(CNN2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3/c1-12-8-13(2)10-14(9-12)11-15-17-6-4-16(3)5-7-17/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyBQECLVIBYSILFW-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.73
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine (PubChem CID 103277014) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine
PubChem CID103277014
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine
SMILESCC1=CC(C)CC(CNN2CCN(C)CC2)C1
InChIInChI=1S/C14H27N3/c1-12-8-13(2)10-14(9-12)11-15-17-6-4-16(3)5-7-17/h8,12,14-15H,4-7,9-11H2,1-3H3
InChIKeyBQECLVIBYSILFW-UHFFFAOYSA-N
XLogP1.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
2-(piperazin-1-yl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
[4-[(2,2-Dimethylhydrazinyl)methyl]cyclohexen-1-yl]methanamine
CID 146175353
2-piperazin-1-yl-N-[[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 1903632
2-piperazin-1-yl-N-[[(1R,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 6581397
2-piperazin-1-yl-N-[[(1R,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 7007201
2-piperazin-1-yl-N-[[(1S,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 7115310
2-piperazin-1-yl-N-[[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 7115312
2-piperazin-1-yl-N-[[(1R,2S,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 11880259
2-piperazin-1-yl-N-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]ethanamine
CID 11880261
1-[3-(4-Methylcyclohex-3-en-1-yl)butyl]piperazine
CID 74332643
N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
CID 83006768

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine (CID 103277014) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine is CC1=CC(C)CC(CNN2CCN(C)CC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine?
The InChIKey is BQECLVIBYSILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-8-13(2)10-14(9-12)11-15-17-6-4-16(3)5-7-17/h8,12,14-15H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 103277014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).