N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine

C14H22N2 — CID 57148887

IUPACN-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCCN(C)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C14H22N2/c1-3-4-10-16(2)13-8-7-12-6-5-9-15-14(12)11-13/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3
InChIKeyCWPKCFWDXOAKFY-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.82
Rot. Bonds4

About N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine

N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine (PubChem CID 57148887) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
PubChem CID57148887
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine
SMILESCCCCN(C)C1CC=C2C=CC=NC2C1
InChIInChI=1S/C14H22N2/c1-3-4-10-16(2)13-8-7-12-6-5-9-15-14(12)11-13/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3
InChIKeyCWPKCFWDXOAKFY-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The IUPAC name of N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine (CID 57148887) is N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine.
What is the SMILES notation for N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The canonical SMILES for N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine is CCCCN(C)C1CC=C2C=CC=NC2C1.
What is the InChIKey of N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
The InChIKey is CWPKCFWDXOAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-4-10-16(2)13-8-7-12-6-5-9-15-14(12)11-13/h5-7,9,13-14H,3-4,8,10-11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine?
N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine has a molecular weight of 218.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6,7,8,8a-tetrahydroquinolin-7-amine is sourced from PubChem (CID 57148887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).