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

C21H37N — CID 163157331

IUPAC[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
SMILES[CH2-][NH2+]C(C)(CCC=C(C)CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C21H37N/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,6-8,10,13-16,22H2,1-5H3
InChIKeyPQFGSTWOKZBGCB-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.32
Rot. Bonds8

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

[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium (PubChem CID 163157331) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium.

Molecular Properties

Compound Name[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
PubChem CID163157331
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
SMILES[CH2-][NH2+]C(C)(CCC=C(C)CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C21H37N/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,6-8,10,13-16,22H2,1-5H3
InChIKeyPQFGSTWOKZBGCB-UHFFFAOYSA-N
XLogP5.32
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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]-methylazanide
CID 163157332
(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CID 123719125
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
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
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
(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
(4S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylcyclohexene
CID 169000974

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]-methanidylazanium?
The IUPAC name of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium (CID 163157331) is [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium.
What is the SMILES notation for [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium?
The canonical SMILES for [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium is [CH2-][NH2+]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]-methanidylazanium?
The InChIKey is PQFGSTWOKZBGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/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,6-8,10,13-16,22H2,1-5H3.
What are the key properties of [6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium?
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium has a molecular weight of 303.53 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 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]-methanidylazanium is sourced from PubChem (CID 163157331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).