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

C23H28N2 — CID 129169593

IUPAC1-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
SMILESC=C/C=C(C)\C(=C/C)c1ccc(=C/CNC(=C)C2CC2)/c(=C\N=C)c1
InChIInChI=1S/C23H28N2/c1-6-8-17(3)23(7-2)21-12-11-20(22(15-21)16-24-5)13-14-25-18(4)19-9-10-19/h6-8,11-13,15-16,19,25H,1,4-5,9-10,14H2,2-3H3/b17-8-,20-13-,22-16-,23-7+
InChIKeyTXDMXXRSNZZVTE-VHTGXTAESA-N
MW332.49 g/mol
LogP3.95
Rot. Bonds8

About 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

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 (PubChem CID 129169593) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID129169593
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-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
SMILESC=C/C=C(C)\C(=C/C)c1ccc(=C/CNC(=C)C2CC2)/c(=C\N=C)c1
InChIInChI=1S/C23H28N2/c1-6-8-17(3)23(7-2)21-12-11-20(22(15-21)16-24-5)13-14-25-18(4)19-9-10-19/h6-8,11-13,15-16,19,25H,1,4-5,9-10,14H2,2-3H3/b17-8-,20-13-,22-16-,23-7+
InChIKeyTXDMXXRSNZZVTE-VHTGXTAESA-N
XLogP3.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.95
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(C)\C(=C/C)c1ccc(=C/CNC(=C)C2CC2)/c(=C\N=C)c1.
What is the InChIKey of 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?
The InChIKey is TXDMXXRSNZZVTE-VHTGXTAESA-N. The full InChI is InChI=1S/C23H28N2/c1-6-8-17(3)23(7-2)21-12-11-20(22(15-21)16-24-5)13-14-25-18(4)19-9-10-19/h6-8,11-13,15-16,19,25H,1,4-5,9-10,14H2,2-3H3/b17-8-,20-13-,22-16-,23-7+.
What are the key properties of 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?
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 has a molecular weight of 332.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129169593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).