(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine

C18H21N — CID 170002773

IUPAC(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine
SMILESC=C/C=C\C=C\N/C(=C/C=C/c1ccccc1)CC
InChIInChI=1S/C18H21N/c1-3-5-6-10-16-19-18(4-2)15-11-14-17-12-8-7-9-13-17/h3,5-16,19H,1,4H2,2H3/b6-5-,14-11+,16-10+,18-15+
InChIKeyIWQWPSMWSZKUBR-IANPIXGPSA-N
MW251.37 g/mol
LogP4.84
Rot. Bonds7

About (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine

(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine (PubChem CID 170002773) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine
PubChem CID170002773
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine
SMILESC=C/C=C\C=C\N/C(=C/C=C/c1ccccc1)CC
InChIInChI=1S/C18H21N/c1-3-5-6-10-16-19-18(4-2)15-11-14-17-12-8-7-9-13-17/h3,5-16,19H,1,4H2,2H3/b6-5-,14-11+,16-10+,18-15+
InChIKeyIWQWPSMWSZKUBR-IANPIXGPSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
CID 142480935
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
(E)-but-2-enoic acid;hexa-1,3,5-trienylbenzene
CID 88655191
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
4-methylpenta-1,3-dienylbenzene
CID 3614395
N-(2-phenylethenyl)propanethioamide
CID 118578613

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine (CID 170002773) is (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine is C=C/C=C\C=C\N/C(=C/C=C/c1ccccc1)CC.
What is the InChIKey of (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine?
The InChIKey is IWQWPSMWSZKUBR-IANPIXGPSA-N. The full InChI is InChI=1S/C18H21N/c1-3-5-6-10-16-19-18(4-2)15-11-14-17-12-8-7-9-13-17/h3,5-16,19H,1,4H2,2H3/b6-5-,14-11+,16-10+,18-15+.
What are the key properties of (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine?
(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine has a molecular weight of 251.37 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine is sourced from PubChem (CID 170002773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).