[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide

C21H36N- — CID 163157332

IUPAC[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
SMILESC[N-]C(C)(CCC=C(C)CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C21H36N/c1-17(2)9-7-10-18(3)11-8-16-21(5,22-6)20-14-12-19(4)13-15-20/h9,11-12,20H,7-8,10,13-16H2,1-6H3/q-1
InChIKeyRHRWJWYCVDWGLX-UHFFFAOYSA-N
MW302.53 g/mol
LogP6.97
Rot. Bonds8

About [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide

[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide (PubChem CID 163157332) has the molecular formula C21H36N- and a molecular weight of 302.53 g/mol. Its IUPAC name is [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide.

Molecular Properties

Compound Name[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
PubChem CID163157332
Molecular FormulaC21H36N-
Molecular Weight302.53 g/mol
Exact Mass302.29
IUPAC Name[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
SMILESC[N-]C(C)(CCC=C(C)CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C21H36N/c1-17(2)9-7-10-18(3)11-8-16-21(5,22-6)20-14-12-19(4)13-15-20/h9,11-12,20H,7-8,10,13-16H2,1-6H3/q-1
InChIKeyRHRWJWYCVDWGLX-UHFFFAOYSA-N
XLogP6.97
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
CID 163157331
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
1-methyl-4-prop-1-en-2-ylcyclohexene;(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 167683772
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
CID 42603665
1-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]-3-pentadecylurea
CID 163110463

Frequently Asked Questions

What is the IUPAC name of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide?
The IUPAC name of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide (CID 163157332) is [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide.
What is the SMILES notation for [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide?
The canonical SMILES for [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide is C[N-]C(C)(CCC=C(C)CCC=C(C)C)C1CC=C(C)CC1.
What is the InChIKey of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide?
The InChIKey is RHRWJWYCVDWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N/c1-17(2)9-7-10-18(3)11-8-16-21(5,22-6)20-14-12-19(4)13-15-20/h9,11-12,20H,7-8,10,13-16H2,1-6H3/q-1.
What are the key properties of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide?
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide has a molecular weight of 302.53 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide is sourced from PubChem (CID 163157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).