1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine

C19H30N2 — CID 66469407

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)CC2CCC3CCCCC3N2)cc1
InChIInChI=1S/C19H30N2/c1-15-7-9-16(10-8-15)13-21(2)14-18-12-11-17-5-3-4-6-19(17)20-18/h7-10,17-20H,3-6,11-14H2,1-2H3
InChIKeyOOQFRIAWPFFPDQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.74
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 66469407) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
PubChem CID66469407
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)CC2CCC3CCCCC3N2)cc1
InChIInChI=1S/C19H30N2/c1-15-7-9-16(10-8-15)13-21(2)14-18-12-11-17-5-3-4-6-19(17)20-18/h7-10,17-20H,3-6,11-14H2,1-2H3
InChIKeyOOQFRIAWPFFPDQ-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 61413648
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
CID 66471626
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclohexyl-N-methylmethanamine
CID 66470216
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
CID 114396569
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
CID 66469810
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 65487131
2-[(4-tert-butylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778586
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
CID 43272229
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
CID 66471620
N-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 55093693

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine (CID 66469407) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CN(C)CC2CCC3CCCCC3N2)cc1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is OOQFRIAWPFFPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-7-9-16(10-8-15)13-21(2)14-18-12-11-17-5-3-4-6-19(17)20-18/h7-10,17-20H,3-6,11-14H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 286.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 66469407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).