(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine

C14H19N — CID 146321112

IUPAC(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine
SMILESC=C/C(C)=C\C(=C)N(C=C)C(=C)/C=C\C
InChIInChI=1S/C14H19N/c1-7-10-13(5)15(9-3)14(6)11-12(4)8-2/h7-11H,2-3,5-6H2,1,4H3/b10-7-,12-11-
InChIKeyMDMFAKMSQGGTHW-NEFYYVMFSA-N
MW201.31 g/mol
LogP4.17
Rot. Bonds6

About (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine

(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine (PubChem CID 146321112) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine
PubChem CID146321112
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine
SMILESC=C/C(C)=C\C(=C)N(C=C)C(=C)/C=C\C
InChIInChI=1S/C14H19N/c1-7-10-13(5)15(9-3)14(6)11-12(4)8-2/h7-11H,2-3,5-6H2,1,4H3/b10-7-,12-11-
InChIKeyMDMFAKMSQGGTHW-NEFYYVMFSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine with MolForge

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Related Compounds

(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
CID 166953787
(3Z,5E)-3,5-dimethyl-6-prop-1-en-2-ylsulfanylhepta-1,3,5-triene
CID 170050507
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(5Z)-N-methyl-4-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hepta-1,5-dien-2-amine
CID 118973859
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 143289392
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine (CID 146321112) is (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine is C=C/C(C)=C\C(=C)N(C=C)C(=C)/C=C\C.
What is the InChIKey of (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine?
The InChIKey is MDMFAKMSQGGTHW-NEFYYVMFSA-N. The full InChI is InChI=1S/C14H19N/c1-7-10-13(5)15(9-3)14(6)11-12(4)8-2/h7-11H,2-3,5-6H2,1,4H3/b10-7-,12-11-.
What are the key properties of (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine?
(3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine has a molecular weight of 201.31 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-4-methyl-N-[(3Z)-penta-1,3-dien-2-yl]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 146321112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).