1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine

C24H34N2 — CID 134424832

IUPAC1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine
SMILESC=C/C=C(/C)c1c(N(C)CCCCC)c(=C)c(NC=C)c(/C=C\C)c1=C
InChIInChI=1S/C24H34N2/c1-9-13-14-17-26(8)24-20(7)23(25-12-4)21(16-11-3)19(6)22(24)18(5)15-10-2/h10-12,15-16,25H,2,4,6-7,9,13-14,17H2,1,3,5,8H3/b16-11-,18-15-
InChIKeyFGLAFJFCJQNBMH-VCIUWRPASA-N
MW350.55 g/mol
LogP5.31
Rot. Bonds10

About 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine

1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine (PubChem CID 134424832) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine.

Molecular Properties

Compound Name1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine
PubChem CID134424832
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine
SMILESC=C/C=C(/C)c1c(N(C)CCCCC)c(=C)c(NC=C)c(/C=C\C)c1=C
InChIInChI=1S/C24H34N2/c1-9-13-14-17-26(8)24-20(7)23(25-12-4)21(16-11-3)19(6)22(24)18(5)15-10-2/h10-12,15-16,25H,2,4,6-7,9,13-14,17H2,1,3,5,8H3/b16-11-,18-15-
InChIKeyFGLAFJFCJQNBMH-VCIUWRPASA-N
XLogP5.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine?
The IUPAC name of 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine (CID 134424832) is 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine.
What is the SMILES notation for 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine?
The canonical SMILES for 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine is C=C/C=C(/C)c1c(N(C)CCCCC)c(=C)c(NC=C)c(/C=C\C)c1=C.
What is the InChIKey of 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine?
The InChIKey is FGLAFJFCJQNBMH-VCIUWRPASA-N. The full InChI is InChI=1S/C24H34N2/c1-9-13-14-17-26(8)24-20(7)23(25-12-4)21(16-11-3)19(6)22(24)18(5)15-10-2/h10-12,15-16,25H,2,4,6-7,9,13-14,17H2,1,3,5,8H3/b16-11-,18-15-.
What are the key properties of 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine?
1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine has a molecular weight of 350.55 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-3-N-methyl-2,5-dimethylidene-4-[(2Z)-penta-2,4-dien-2-yl]-3-N-pentyl-6-[(Z)-prop-1-enyl]cyclohexa-3,6-diene-1,3-diamine is sourced from PubChem (CID 134424832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).