6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine

C15H27N3 — CID 123162362

IUPAC6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine
SMILESCC=C(C=CCN1CCN(C2CC2)CC1)N(C)C
InChIInChI=1S/C15H27N3/c1-4-14(16(2)3)6-5-9-17-10-12-18(13-11-17)15-7-8-15/h4-6,15H,7-13H2,1-3H3
InChIKeyRFUNSBBUCWRCQZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.79
Rot. Bonds5

About 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine

6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine (PubChem CID 123162362) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine
PubChem CID123162362
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine
SMILESCC=C(C=CCN1CCN(C2CC2)CC1)N(C)C
InChIInChI=1S/C15H27N3/c1-4-14(16(2)3)6-5-9-17-10-12-18(13-11-17)15-7-8-15/h4-6,15H,7-13H2,1-3H3
InChIKeyRFUNSBBUCWRCQZ-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

Computed Properties (RDKit)

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

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Related Compounds

1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
CID 174194797
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
CID 58336937
1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
CID 58337005
rubidium(1+);3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]benzene-4-id-1-amine
CID 58699950
Carbanide;1-methyl-4-phenylpiperazine;yttrium
CID 58870665
1-Cyclohexa-1,5-dien-1-yl-4-cyclopropylpiperazine
CID 68343984
(2E,4Z)-6-(4-methylpiperazin-1-yl)hepta-2,4,6-trien-3-amine
CID 89062410
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperazine
CID 89117773
1-ethyl-4-[(2E)-penta-2,4-dien-2-yl]piperazine
CID 90435666

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine?
The IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine (CID 123162362) is 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine.
What is the SMILES notation for 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine?
The canonical SMILES for 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine is CC=C(C=CCN1CCN(C2CC2)CC1)N(C)C.
What is the InChIKey of 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine?
The InChIKey is RFUNSBBUCWRCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-14(16(2)3)6-5-9-17-10-12-18(13-11-17)15-7-8-15/h4-6,15H,7-13H2,1-3H3.
What are the key properties of 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine?
6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-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 6-(4-cyclopropylpiperazin-1-yl)-N,N-dimethylhexa-2,4-dien-3-amine is sourced from PubChem (CID 123162362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).