1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine

C14H22N2 — CID 130461522

IUPAC1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine
SMILESC=CC(/C=C\C)=C/C(=C)NC(=C)NC(C)C
InChIInChI=1S/C14H22N2/c1-7-9-14(8-2)10-12(5)16-13(6)15-11(3)4/h7-11,15-16H,2,5-6H2,1,3-4H3/b9-7-,14-10-
InChIKeyFHDKRNNEHWPJSA-JFKXSGPMSA-N
MW218.34 g/mol
LogP3.25
Rot. Bonds7

About 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine

1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine (PubChem CID 130461522) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine
PubChem CID130461522
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine
SMILESC=CC(/C=C\C)=C/C(=C)NC(=C)NC(C)C
InChIInChI=1S/C14H22N2/c1-7-9-14(8-2)10-12(5)16-13(6)15-11(3)4/h7-11,15-16H,2,5-6H2,1,3-4H3/b9-7-,14-10-
InChIKeyFHDKRNNEHWPJSA-JFKXSGPMSA-N
XLogP3.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine
CID 121280768
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
CID 146583215
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259
1-N'-[(3Z,5Z)-6-chloro-5-fluorohepta-3,5-dien-2-yl]-1-N-methylethene-1,1-diamine
CID 143473476
1-N-ethyl-1-N'-[(2E,4Z)-5-fluoro-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]ethane-1,1-diamine
CID 144190365
5-(Aminomethyl)-6-methyl-1,2-dihydropyridin-2-amine
CID 53779356
(2S)-2-methyl-1,2-dihydropyridin-6-amine
CID 69789871
2-Methyl-1,2-dihydropyridin-6-amine
CID 77717490
6-N,2-dimethyl-1,2-dihydropyridine-5,6-diamine
CID 86341165
1-N'-cyclohexa-1,3-dien-1-yl-1-cyclohexa-1,5-dien-1-yl-1-N-methylethane-1,1-diamine
CID 88892209
(1Z,3Z)-2-methyl-5-N-propan-2-ylhexa-1,3,5-triene-1,5-diamine
CID 88963383

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine (CID 130461522) is 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine is C=CC(/C=C\C)=C/C(=C)NC(=C)NC(C)C.
What is the InChIKey of 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine?
The InChIKey is FHDKRNNEHWPJSA-JFKXSGPMSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-9-14(8-2)10-12(5)16-13(6)15-11(3)4/h7-11,15-16H,2,5-6H2,1,3-4H3/b9-7-,14-10-.
What are the key properties of 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine?
1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3Z,5Z)-4-ethenylhepta-1,3,5-trien-2-yl]-1-N-propan-2-ylethene-1,1-diamine is sourced from PubChem (CID 130461522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).