N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine

C17H27N3 — CID 81214603

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCN1CCC(CN(C)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H27N3/c1-19-11-8-14(9-12-19)13-20(2)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3
InChIKeyJVQUMHYNLPETDH-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.82
Rot. Bonds3

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine (PubChem CID 81214603) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine
PubChem CID81214603
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCN1CCC(CN(C)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H27N3/c1-19-11-8-14(9-12-19)13-20(2)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3
InChIKeyJVQUMHYNLPETDH-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine (CID 81214603) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine is CN1CCC(CN(C)c2cccc3c2NCCC3)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine?
The InChIKey is JVQUMHYNLPETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-11-8-14(9-12-19)13-20(2)16-7-3-5-15-6-4-10-18-17(15)16/h3,5,7,14,18H,4,6,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine has a molecular weight of 273.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine is sourced from PubChem (CID 81214603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).