(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine

C12H22N2 — CID 88735479

IUPAC(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)/C=C1/CCC2CCCNC2C1
InChIInChI=1S/C12H22N2/c1-14(2)9-10-5-6-11-4-3-7-13-12(11)8-10/h9,11-13H,3-8H2,1-2H3/b10-9-
InChIKeyJCWXSCZMVBKVEE-KTKRTIGZSA-N
MW194.32 g/mol
LogP1.98
Rot. Bonds1

About (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine

(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine (PubChem CID 88735479) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine
PubChem CID88735479
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine
SMILESCN(C)/C=C1/CCC2CCCNC2C1
InChIInChI=1S/C12H22N2/c1-14(2)9-10-5-6-11-4-3-7-13-12(11)8-10/h9,11-13H,3-8H2,1-2H3/b10-9-
InChIKeyJCWXSCZMVBKVEE-KTKRTIGZSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine (CID 88735479) is (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine is CN(C)/C=C1/CCC2CCCNC2C1.
What is the InChIKey of (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine?
The InChIKey is JCWXSCZMVBKVEE-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22N2/c1-14(2)9-10-5-6-11-4-3-7-13-12(11)8-10/h9,11-13H,3-8H2,1-2H3/b10-9-.
What are the key properties of (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine?
(1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine has a molecular weight of 194.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 88735479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).