N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine

C10H20N2 — CID 140521183

IUPACN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine
SMILESCNC1CCCC2CCCNC21
InChIInChI=1S/C10H20N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h8-12H,2-7H2,1H3
InChIKeyVTDSKJFLVPNVQI-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.13
Rot. Bonds1

About N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine

N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine (PubChem CID 140521183) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine
PubChem CID140521183
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine
SMILESCNC1CCCC2CCCNC21
InChIInChI=1S/C10H20N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h8-12H,2-7H2,1H3
InChIKeyVTDSKJFLVPNVQI-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
Pumiliotoxin C
CID 114949
Quinoline, decahydro-, cis-
CID 6994355
6-Methyl-decahydroquinoline
CID 429040
(4aS,6S,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 231576
(4aS,8aR)-Decahydroquinoline
CID 6994352
3-Methyl-decahydroquinoline hydrochloride
CID 67337749
N-[[(3S)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl]methyl]-2-methylpropan-2-amine
CID 137655173

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine?
The IUPAC name of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine (CID 140521183) is N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine?
The canonical SMILES for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine is CNC1CCCC2CCCNC21.
What is the InChIKey of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine?
The InChIKey is VTDSKJFLVPNVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-11-9-6-2-4-8-5-3-7-12-10(8)9/h8-12H,2-7H2,1H3.
What are the key properties of N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine?
N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine has a molecular weight of 168.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine is sourced from PubChem (CID 140521183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).