(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine

C17H26N2 — CID 155571479

IUPAC(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine
SMILESC=N/C(C(=C)C1CC1)=C(/C)NCC/C=C(/C)C(=C)C
InChIInChI=1S/C17H26N2/c1-12(2)13(3)8-7-11-19-15(5)17(18-6)14(4)16-9-10-16/h8,16,19H,1,4,6-7,9-11H2,2-3,5H3/b13-8-,17-15-
InChIKeyXEWZSVDJWPIKIU-XCVUTTPOSA-N
MW258.41 g/mol
LogP4.39
Rot. Bonds8

About (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine

(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine (PubChem CID 155571479) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine
PubChem CID155571479
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine
SMILESC=N/C(C(=C)C1CC1)=C(/C)NCC/C=C(/C)C(=C)C
InChIInChI=1S/C17H26N2/c1-12(2)13(3)8-7-11-19-15(5)17(18-6)14(4)16-9-10-16/h8,16,19H,1,4,6-7,9-11H2,2-3,5H3/b13-8-,17-15-
InChIKeyXEWZSVDJWPIKIU-XCVUTTPOSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
CID 146550620
3-Cyclopropyl-6-methyl-1,2-dihydropyridine
CID 67962666
(2E,4E)-3-cyclopropyl-2-ethenyl-N-[(4E)-5-methylocta-1,4-dien-4-yl]hepta-2,4-dien-1-amine
CID 126514946
(3E,4E,6E)-3-ethylidene-7-(3-methylcyclopropen-1-yl)-N,4-dipropylnona-1,4,6-trien-2-amine
CID 126658156
(1E)-1-[2-[(3E)-hexa-3,5-dien-3-yl]-3-(methylideneamino)cyclopropylidene]-N,2-dimethylbutan-1-amine
CID 129064362
1-cyclopropyl-N-[(2Z)-2-[(6Z)-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]-6-[(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]ethyl]ethenamine
CID 129169593
(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine
CID 129236600
(4E)-N,4,6-trimethyl-5-(methylideneamino)hepta-4,6-dien-1-amine
CID 130181126
(3R,4Z,6E)-6-N,3-dimethyl-2-N-(4-methylpent-4-enyl)nona-1,4,6-triene-2,6-diamine
CID 135278053
N-[(Z)-3-methyl-2-[(Z)-piperidin-3-ylidenemethyl]but-1-enyl]methanimine
CID 138487196
(1E)-4-N-(2-cyclopenta-1,3-dien-1-ylethyl)-2-methyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine
CID 138666038
(Z)-N-ethyl-2-methyl-3-methylidene-5-(methylideneamino)hex-4-en-1-amine
CID 142375473

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine (CID 155571479) is (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine is C=N/C(C(=C)C1CC1)=C(/C)NCC/C=C(/C)C(=C)C.
What is the InChIKey of (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine?
The InChIKey is XEWZSVDJWPIKIU-XCVUTTPOSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)13(3)8-7-11-19-15(5)17(18-6)14(4)16-9-10-16/h8,16,19H,1,4,6-7,9-11H2,2-3,5H3/b13-8-,17-15-.
What are the key properties of (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine?
(3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(2Z)-4-cyclopropyl-3-(methylideneamino)penta-2,4-dien-2-yl]-4,5-dimethylhexa-3,5-dien-1-amine is sourced from PubChem (CID 155571479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).