(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine

C21H32N4 — CID 88579605

IUPAC(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine
SMILESC=C(C)N/N=C\C=C(\C=C/N)c1cccc(C(C)(CC)CN(C)C)c1
InChIInChI=1S/C21H32N4/c1-7-21(4,16-25(5)6)20-10-8-9-19(15-20)18(11-13-22)12-14-23-24-17(2)3/h8-15,24H,2,7,16,22H2,1,3-6H3/b13-11-,18-12-,23-14-
InChIKeyYSDBWVKXFLMWME-DCTIHFOLSA-N
MW340.52 g/mol
LogP3.88
Rot. Bonds9

About (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine

(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine (PubChem CID 88579605) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine
PubChem CID88579605
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine
SMILESC=C(C)N/N=C\C=C(\C=C/N)c1cccc(C(C)(CC)CN(C)C)c1
InChIInChI=1S/C21H32N4/c1-7-21(4,16-25(5)6)20-10-8-9-19(15-20)18(11-13-22)12-14-23-24-17(2)3/h8-15,24H,2,7,16,22H2,1,3-6H3/b13-11-,18-12-,23-14-
InChIKeyYSDBWVKXFLMWME-DCTIHFOLSA-N
XLogP3.88
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine (CID 88579605) is (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine is C=C(C)N/N=C\C=C(\C=C/N)c1cccc(C(C)(CC)CN(C)C)c1.
What is the InChIKey of (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine?
The InChIKey is YSDBWVKXFLMWME-DCTIHFOLSA-N. The full InChI is InChI=1S/C21H32N4/c1-7-21(4,16-25(5)6)20-10-8-9-19(15-20)18(11-13-22)12-14-23-24-17(2)3/h8-15,24H,2,7,16,22H2,1,3-6H3/b13-11-,18-12-,23-14-.
What are the key properties of (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine?
(1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine has a molecular weight of 340.52 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-3-[3-[1-(dimethylamino)-2-methylbutan-2-yl]phenyl]-5-(prop-1-en-2-ylhydrazinylidene)penta-1,3-dien-1-amine is sourced from PubChem (CID 88579605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).