4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine

C19H35N3 — CID 142510814

IUPAC4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine
SMILESC=C(C)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1
InChIInChI=1S/C19H35N3/c1-17(2)8-7-10-21-12-14-22(15-13-21)11-9-20-18(3)16-19(4,5)6/h7-8,20H,1,3,9-16H2,2,4-6H3/b8-7+
InChIKeyJNXLDWOWVSDXFT-BQYQJAHWSA-N
MW305.51 g/mol
LogP3.28
Rot. Bonds8

About 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine

4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine (PubChem CID 142510814) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine
PubChem CID142510814
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine
SMILESC=C(C)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1
InChIInChI=1S/C19H35N3/c1-17(2)8-7-10-21-12-14-22(15-13-21)11-9-20-18(3)16-19(4,5)6/h7-8,20H,1,3,9-16H2,2,4-6H3/b8-7+
InChIKeyJNXLDWOWVSDXFT-BQYQJAHWSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-Piperazin-1-yl-ethyl)-(2,2,5,9-tetramethyl-deca-4,8-dienyl)-amine
CID 1893792
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
(3E,5Z)-6-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)pentan-2-yl]-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187710
(3Z,5Z)-6-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)butan-2-yl]-3-ethenyl-5-fluoro-2-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]hepta-1,3,5-triene-2,6-diamine
CID 134187723
(3E,5Z)-5-(1-aminoethenyl)-6-N-[(3E,5E)-5,6-dimethylocta-1,3,5-trien-3-yl]-2-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)butan-2-yl]-3-fluorohepta-1,3,5-triene-2,6-diamine
CID 134187771
(4Z,6E)-7-N-[(3Z,5E)-5-(4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-yl)octa-3,5-dien-2-yl]-1-N-methyldeca-4,6,9-triene-1,2,7-triamine
CID 134478962
4-[(4-Ethylpiperazin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111088
3,3-dimethyl-1-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]piperazine
CID 68343985
(4-Tert-butyl-1,2-dihydropyridin-6-yl)methanamine
CID 70235880
1-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]piperazine
CID 88910974
(1E,3Z)-5-methyl-2-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 88917398
(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 88957766

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine?
The IUPAC name of 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine (CID 142510814) is 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine?
The canonical SMILES for 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine is C=C(C)/C=C/CN1CCN(CCNC(=C)CC(C)(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine?
The InChIKey is JNXLDWOWVSDXFT-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H35N3/c1-17(2)8-7-10-21-12-14-22(15-13-21)11-9-20-18(3)16-19(4,5)6/h7-8,20H,1,3,9-16H2,2,4-6H3/b8-7+.
What are the key properties of 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine?
4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine has a molecular weight of 305.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-[4-[(2E)-4-methylpenta-2,4-dienyl]piperazin-1-yl]ethyl]pent-1-en-2-amine is sourced from PubChem (CID 142510814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).