5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine

C22H36N2 — CID 174092895

IUPAC5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
SMILESC=C(/C=C\CC)NC=C(C=C(C)/C=N/C1CC(C)(C)C1)CC(C)C
InChIInChI=1S/C22H36N2/c1-8-9-10-19(5)23-16-20(11-17(2)3)12-18(4)15-24-21-13-22(6,7)14-21/h9-10,12,15-17,21,23H,5,8,11,13-14H2,1-4,6-7H3/b10-9-,18-12?,20-16?,24-15+
InChIKeyLHZNOHJCMVYASP-LNBQSHRNSA-N
MW328.54 g/mol
LogP6.19
Rot. Bonds9

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

5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine (PubChem CID 174092895) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
PubChem CID174092895
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
SMILESC=C(/C=C\CC)NC=C(C=C(C)/C=N/C1CC(C)(C)C1)CC(C)C
InChIInChI=1S/C22H36N2/c1-8-9-10-19(5)23-16-20(11-17(2)3)12-18(4)15-24-21-13-22(6,7)14-21/h9-10,12,15-17,21,23H,5,8,11,13-14H2,1-4,6-7H3/b10-9-,18-12?,20-16?,24-15+
InChIKeyLHZNOHJCMVYASP-LNBQSHRNSA-N
XLogP6.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.19
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'}

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

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Related Compounds

3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
CID 137247884
(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
CID 142330018
(Z)-2-[(E)-1-(ethylideneamino)prop-1-en-2-yl]-4,4-dimethyl-N-pent-4-en-2-ylhept-2-en-1-amine
CID 166651510
N-methyl-1-(2-propan-2-yl-2H-azet-3-ylidene)prop-2-en-1-amine
CID 170204636
(1Z,3Z,6Z)-5-[(E)-1-[2-(butylamino)prop-2-enylideneamino]but-1-en-2-yl]-1-N,2-N,2-N-trimethylocta-1,3,6-triene-1,2-diamine
CID 173871046
(4E)-6-[[(Z)-2-cyclopropylbut-2-enylidene]amino]-N,5-bis(ethenyl)-2-methylhepta-2,4,6-trien-3-amine
CID 176704586

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine?
The IUPAC name of 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine (CID 174092895) is 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine.
What is the SMILES notation for 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine?
The canonical SMILES for 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine is C=C(/C=C\CC)NC=C(C=C(C)/C=N/C1CC(C)(C)C1)CC(C)C.
What is the InChIKey of 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine?
The InChIKey is LHZNOHJCMVYASP-LNBQSHRNSA-N. The full InChI is InChI=1S/C22H36N2/c1-8-9-10-19(5)23-16-20(11-17(2)3)12-18(4)15-24-21-13-22(6,7)14-21/h9-10,12,15-17,21,23H,5,8,11,13-14H2,1-4,6-7H3/b10-9-,18-12?,20-16?,24-15+.
What are the key properties of 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine?
5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine has a molecular weight of 328.54 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 174092895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).