1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine

C13H25N3 — CID 115415360

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C13H25N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h12-14H,7-11H2,1-4H3
InChIKeyXEKAGFRANLACTA-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.62
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine (PubChem CID 115415360) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
PubChem CID115415360
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C13H25N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h12-14H,7-11H2,1-4H3
InChIKeyXEKAGFRANLACTA-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-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

1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ylhydrazine
CID 105260226
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
1-(1,4-dimethylpiperazin-2-yl)hex-5-yn-2-ylhydrazine
CID 105260180
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine (CID 115415360) is 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine is CC#CCC(CC1CN(C)CCN1C)NC.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine?
The InChIKey is XEKAGFRANLACTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h12-14H,7-11H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine has a molecular weight of 223.36 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine is sourced from PubChem (CID 115415360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).