5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine

C23H45N — CID 143524727

IUPAC5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine
SMILESCC(C)C(C)CC(CC(C)C(C)NC(C)C(C)C)C1C=CCCC1
InChIInChI=1S/C23H45N/c1-16(2)18(5)14-23(22-12-10-9-11-13-22)15-19(6)21(8)24-20(7)17(3)4/h10,12,16-24H,9,11,13-15H2,1-8H3
InChIKeyARVIXKWWRLAPIQ-UHFFFAOYSA-N
MW335.62 g/mol
LogP6.69
Rot. Bonds10

About 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine

5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine (PubChem CID 143524727) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine
PubChem CID143524727
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine
SMILESCC(C)C(C)CC(CC(C)C(C)NC(C)C(C)C)C1C=CCCC1
InChIInChI=1S/C23H45N/c1-16(2)18(5)14-23(22-12-10-9-11-13-22)15-19(6)21(8)24-20(7)17(3)4/h10,12,16-24H,9,11,13-15H2,1-8H3
InChIKeyARVIXKWWRLAPIQ-UHFFFAOYSA-N
XLogP6.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine with MolForge

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Related Compounds

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CID 142490975
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4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
(E)-4-cyclohex-2-en-1-yl-2-methylpent-2-enoic acid
CID 15359728
methyl (2R)-2-[(1R)-cyclohex-2-en-1-yl]-2-hydroxyacetate
CID 11137554
3-amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine?
The IUPAC name of 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine (CID 143524727) is 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine?
The canonical SMILES for 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine is CC(C)C(C)CC(CC(C)C(C)NC(C)C(C)C)C1C=CCCC1.
What is the InChIKey of 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine?
The InChIKey is ARVIXKWWRLAPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-16(2)18(5)14-23(22-12-10-9-11-13-22)15-19(6)21(8)24-20(7)17(3)4/h10,12,16-24H,9,11,13-15H2,1-8H3.
What are the key properties of 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine?
5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine has a molecular weight of 335.62 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-3,7,8-trimethyl-N-(3-methylbutan-2-yl)nonan-2-amine is sourced from PubChem (CID 143524727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).