3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline

C10H17N — CID 118287962

IUPAC3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline
SMILESCC1CNC2CCC=CC2C1
InChIInChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2,4,8-11H,3,5-7H2,1H3
InChIKeyVFWQEKLZYOOVHW-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.95
Rot. Bonds

About 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline

3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline (PubChem CID 118287962) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline.

Molecular Properties

Compound Name3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline
PubChem CID118287962
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline
SMILESCC1CNC2CCC=CC2C1
InChIInChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2,4,8-11H,3,5-7H2,1H3
InChIKeyVFWQEKLZYOOVHW-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674841
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
Octahydrobenzo(f)quinoline
CID 67192496
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
1,2,3,4,4a,5,6,7-Octahydroquinoline
CID 17933009
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydrobenzoquinoline
CID 67195051
Octahydrobenzo[g]quinoline
CID 69368048
trans-Octahydrobenzo(f)quinoline
CID 129670051
trans-Octahydrobenzo[g]quinoline
CID 129712244
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline?
The IUPAC name of 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline (CID 118287962) is 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline.
What is the SMILES notation for 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline?
The canonical SMILES for 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline is CC1CNC2CCC=CC2C1.
What is the InChIKey of 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline?
The InChIKey is VFWQEKLZYOOVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2,4,8-11H,3,5-7H2,1H3.
What are the key properties of 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline?
3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline has a molecular weight of 151.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,3,4,4a,7,8,8a-octahydroquinoline is sourced from PubChem (CID 118287962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).