1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine

C13H27N3 — CID 115415336

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
SMILESC=CCCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C13H27N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h5,12-14H,1,6-11H2,2-4H3
InChIKeyOMQAGLAJTYSMFT-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.18
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine

1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine (PubChem CID 115415336) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
PubChem CID115415336
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
SMILESC=CCCC(CC1CN(C)CCN1C)NC
InChIInChI=1S/C13H27N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h5,12-14H,1,6-11H2,2-4H3
InChIKeyOMQAGLAJTYSMFT-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
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)-N-methylhex-4-yn-2-amine
CID 115415360
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
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)-N-methylpropan-2-amine
CID 115415404
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
4-cyclopropyl-1-(1,4-dimethylpiperazin-2-yl)-N-ethylbutan-2-amine
CID 115415424

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine (CID 115415336) is 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine is C=CCCC(CC1CN(C)CCN1C)NC.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine?
The InChIKey is OMQAGLAJTYSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-6-7-12(14-2)10-13-11-15(3)8-9-16(13)4/h5,12-14H,1,6-11H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine has a molecular weight of 225.38 g/mol, XLogP of 1.18, 6 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-5-en-2-amine is sourced from PubChem (CID 115415336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).