(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol

C25H41NO — CID 135244424

IUPAC(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol
SMILESC=C/C(CCCCC)=C(/NCC(C)C)C(=C)/C(=C(\C)O)C1C=C(C)CCC1
InChIInChI=1S/C25H41NO/c1-8-10-11-14-22(9-2)25(26-17-18(3)4)20(6)24(21(7)27)23-15-12-13-19(5)16-23/h9,16,18,23,26-27H,2,6,8,10-15,17H2,1,3-5,7H3/b24-21-,25-22-
InChIKeyRKRIDERFWKZNKL-NUJSLWOLSA-N
MW371.61 g/mol
LogP7.39
Rot. Bonds11

About (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol

(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol (PubChem CID 135244424) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol.

Molecular Properties

Compound Name(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol
PubChem CID135244424
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Name(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol
SMILESC=C/C(CCCCC)=C(/NCC(C)C)C(=C)/C(=C(\C)O)C1C=C(C)CCC1
InChIInChI=1S/C25H41NO/c1-8-10-11-14-22(9-2)25(26-17-18(3)4)20(6)24(21(7)27)23-15-12-13-19(5)16-23/h9,16,18,23,26-27H,2,6,8,10-15,17H2,1,3-5,7H3/b24-21-,25-22-
InChIKeyRKRIDERFWKZNKL-NUJSLWOLSA-N
XLogP7.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol 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

1-(3-methylcyclohex-2-en-1-yl)heptan-1-one
CID 70961210
(Z,5E)-2-[(1S)-3,6-dimethylcyclohex-2-en-1-yl]-5-[1-(2-methylpropylamino)ethylidene]-4-oxodec-2-enal
CID 135244431
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
4-ethenyl-5-(3-methylcyclohex-2-en-1-yl)-3,6-dimethylidene-2-pentyl-N-propan-2-ylcyclohexa-1,4-dien-1-amine
CID 156825398
2-[2-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-(2-methylpropyl)-6-pentylphenyl]prop-2-enenitrile
CID 174245316
(1R)-1-[(1S)-3-methylcyclohex-2-en-1-yl]prop-2-en-1-ol
CID 124705431
(3R)-1,3-dimethylcyclohexene;methyl 2,4-diacetyloxy-6-pentylbenzoate;prop-2-enoic acid
CID 162377104
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
4-hydroxy-3-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-methylpropylamino)-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 126581927
4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(2-methylpropylamino)-6-pentylcyclohexa-3,5-diene-1,2-dione
CID 118465242

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol?
The IUPAC name of (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol (CID 135244424) is (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol.
What is the SMILES notation for (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol?
The canonical SMILES for (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol is C=C/C(CCCCC)=C(/NCC(C)C)C(=C)/C(=C(\C)O)C1C=C(C)CCC1.
What is the InChIKey of (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol?
The InChIKey is RKRIDERFWKZNKL-NUJSLWOLSA-N. The full InChI is InChI=1S/C25H41NO/c1-8-10-11-14-22(9-2)25(26-17-18(3)4)20(6)24(21(7)27)23-15-12-13-19(5)16-23/h9,16,18,23,26-27H,2,6,8,10-15,17H2,1,3-5,7H3/b24-21-,25-22-.
What are the key properties of (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol?
(2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol has a molecular weight of 371.61 g/mol, XLogP of 7.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-6-ethenyl-3-(3-methylcyclohex-2-en-1-yl)-4-methylidene-5-(2-methylpropylamino)undeca-2,5-dien-2-ol is sourced from PubChem (CID 135244424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).