(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine

C20H24N2 — CID 129170509

IUPAC(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine
SMILESC=N/C=c1/cc(CC(=C)/C=C\NC)cc/c1=C/C(=C)C1CC1
InChIInChI=1S/C20H24N2/c1-15(9-10-21-3)11-17-5-6-19(20(13-17)14-22-4)12-16(2)18-7-8-18/h5-6,9-10,12-14,18,21H,1-2,4,7-8,11H2,3H3/b10-9-,19-12-,20-14-
InChIKeySEXIWDIINPMDGT-ZDYHULCCSA-N
MW292.43 g/mol
LogP2.70
Rot. Bonds7

About (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine

(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine (PubChem CID 129170509) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine
PubChem CID129170509
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine
SMILESC=N/C=c1/cc(CC(=C)/C=C\NC)cc/c1=C/C(=C)C1CC1
InChIInChI=1S/C20H24N2/c1-15(9-10-21-3)11-17-5-6-19(20(13-17)14-22-4)12-16(2)18-7-8-18/h5-6,9-10,12-14,18,21H,1-2,4,7-8,11H2,3H3/b10-9-,19-12-,20-14-
InChIKeySEXIWDIINPMDGT-ZDYHULCCSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine (CID 129170509) is (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine is C=N/C=c1/cc(CC(=C)/C=C\NC)cc/c1=C/C(=C)C1CC1.
What is the InChIKey of (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine?
The InChIKey is SEXIWDIINPMDGT-ZDYHULCCSA-N. The full InChI is InChI=1S/C20H24N2/c1-15(9-10-21-3)11-17-5-6-19(20(13-17)14-22-4)12-16(2)18-7-8-18/h5-6,9-10,12-14,18,21H,1-2,4,7-8,11H2,3H3/b10-9-,19-12-,20-14-.
What are the key properties of (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine?
(1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine has a molecular weight of 292.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-[[(3Z,4Z)-4-(2-cyclopropylprop-2-enylidene)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]methyl]-N-methylbuta-1,3-dien-1-amine is sourced from PubChem (CID 129170509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).