ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine

C12H26N2 — CID 142426595

IUPACethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCC.CN1C(N)CCC2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-9-5-3-2-4-8(9)6-7-10(12)11;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyMXKCOCMZSFVQFG-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.58
Rot. Bonds

About ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine

ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (PubChem CID 142426595) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.

Molecular Properties

Compound Nameethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
PubChem CID142426595
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCC.CN1C(N)CCC2CCCCC21
InChIInChI=1S/C10H20N2.C2H6/c1-12-9-5-3-2-4-8(9)6-7-10(12)11;1-2/h8-10H,2-7,11H2,1H3;1-2H3
InChIKeyMXKCOCMZSFVQFG-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Decahydroquinoline
CID 92911
Quinoline, decahydro-, (4aR,8aS)-rel-
CID 66078
rel-(4aR,8aR)-Decahydroquinoline
CID 66313
2-Methyldecahydroquinoline (mixture of isomers)
CID 524016
4-Methyl-decahydroquinoline
CID 524017
Quinoline, decahydro-, cis-
CID 6994355
(4aS,8aR)-Decahydroquinoline
CID 6994352
3-Methyl-decahydroquinoline hydrochloride
CID 67337749
3-Methyl-decahydroquinoline
CID 15555473
5-Methyl-5-azabicyclo[4.4.0]dec-2-ylamine
CID 4912809
2-Methyl-decahydroquinoline hydrochloride
CID 117069074
2-Methyl-7-amino-cis-decahydroisoquinoline
CID 6453796

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The IUPAC name of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (CID 142426595) is ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.
What is the SMILES notation for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The canonical SMILES for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is CC.CN1C(N)CCC2CCCCC21.
What is the InChIKey of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The InChIKey is MXKCOCMZSFVQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-12-9-5-3-2-4-8(9)6-7-10(12)11;1-2/h8-10H,2-7,11H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is sourced from PubChem (CID 142426595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).