(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine

C22H27N — CID 143924438

IUPAC(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\N(C)C(=C)c1ccc(C)cc1)/C=C/C(C)=C/C=C\C
InChIInChI=1S/C22H27N/c1-7-8-9-18(2)10-11-20(4)16-17-23(6)21(5)22-14-12-19(3)13-15-22/h7-17H,4-5H2,1-3,6H3/b8-7-,11-10+,17-16-,18-9+
InChIKeyHYESVOBOEJDATP-VBAQZBJKSA-N
MW305.47 g/mol
LogP6.05
Rot. Bonds7

About (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine

(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine (PubChem CID 143924438) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine
PubChem CID143924438
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\N(C)C(=C)c1ccc(C)cc1)/C=C/C(C)=C/C=C\C
InChIInChI=1S/C22H27N/c1-7-8-9-18(2)10-11-20(4)16-17-23(6)21(5)22-14-12-19(3)13-15-22/h7-17H,4-5H2,1-3,6H3/b8-7-,11-10+,17-16-,18-9+
InChIKeyHYESVOBOEJDATP-VBAQZBJKSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine with MolForge

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Related Compounds

(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine
CID 170226384
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene
CID 142469835
1-[(1E,3E,5Z)-3-methylhepta-1,3,5-trienyl]-3-prop-1-en-2-ylbenzene
CID 153358838
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
(Z)-N-[1-(4-methylphenyl)ethenyl]but-2-en-1-imine
CID 144810158
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
CID 144905375
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
1-methyl-4-(1-prop-1-en-2-ylsulfanylprop-1-enyl)benzene
CID 123372265
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761

Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine?
The IUPAC name of (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine (CID 143924438) is (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine?
The canonical SMILES for (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine is C=C(/C=C\N(C)C(=C)c1ccc(C)cc1)/C=C/C(C)=C/C=C\C.
What is the InChIKey of (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine?
The InChIKey is HYESVOBOEJDATP-VBAQZBJKSA-N. The full InChI is InChI=1S/C22H27N/c1-7-8-9-18(2)10-11-20(4)16-17-23(6)21(5)22-14-12-19(3)13-15-22/h7-17H,4-5H2,1-3,6H3/b8-7-,11-10+,17-16-,18-9+.
What are the key properties of (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine?
(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine has a molecular weight of 305.47 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 143924438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).