7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine

C10H18N2 — CID 135226725

IUPAC7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine
SMILESCC1=CCC2CCCN(N)C2C1
InChIInChI=1S/C10H18N2/c1-8-4-5-9-3-2-6-12(11)10(9)7-8/h4,9-10H,2-3,5-7,11H2,1H3
InChIKeySIAHZMVRPKLNPH-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.68
Rot. Bonds

About 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine

7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine (PubChem CID 135226725) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine.

Molecular Properties

Compound Name7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine
PubChem CID135226725
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine
SMILESCC1=CCC2CCCN(N)C2C1
InChIInChI=1S/C10H18N2/c1-8-4-5-9-3-2-6-12(11)10(9)7-8/h4,9-10H,2-3,5-7,11H2,1H3
InChIKeySIAHZMVRPKLNPH-UHFFFAOYSA-N
XLogP1.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-aminodecahydroacridine
CID 129781734
1-methyl-1-[(1S,5S,6R)-3,5,6-trimethylcyclohex-2-en-1-yl]hydrazine
CID 59954546
7-Methyl-1,2,3,4,4a,5,8,8a-octahydroquinoline
CID 89247734
2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline
CID 123270393
1,5-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-quinoline
CID 135226691
5-Methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine
CID 135226701
5-methyl-3,4,4a,7,8,8a-hexahydro-1H-isoquinolin-2-amine
CID 135226724
1,6-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 135226733
5-Ethyl-1,2,3,4,4a,7,8,8a-octahydroquinoline
CID 141873347
Ethane;5-ethyl-1,2,3,4,4a,7,8,8a-octahydroquinoline
CID 141873361
1-Methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)hydrazine
CID 142964482
1-(4,6-Dimethylcyclohex-3-en-1-yl)-1-methylhydrazine
CID 142964483

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine?
The IUPAC name of 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine (CID 135226725) is 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine.
What is the SMILES notation for 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine?
The canonical SMILES for 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine is CC1=CCC2CCCN(N)C2C1.
What is the InChIKey of 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine?
The InChIKey is SIAHZMVRPKLNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-4-5-9-3-2-6-12(11)10(9)7-8/h4,9-10H,2-3,5-7,11H2,1H3.
What are the key properties of 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine?
7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-1-amine is sourced from PubChem (CID 135226725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).