N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine

C16H26N2 — CID 81215004

IUPACN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCC(C)CN(c1cccc2c1CCCN2)C(C)C
InChIInChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3
InChIKeyUXGQAQOCEMYIRQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.92
Rot. Bonds4

About N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine

N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 81215004) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID81215004
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCC(C)CN(c1cccc2c1CCCN2)C(C)C
InChIInChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3
InChIKeyUXGQAQOCEMYIRQ-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine 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 N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine (CID 81215004) is N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine is CC(C)CN(c1cccc2c1CCCN2)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is UXGQAQOCEMYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)11-18(13(3)4)16-9-5-8-15-14(16)7-6-10-17-15/h5,8-9,12-13,17H,6-7,10-11H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine?
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine has a molecular weight of 246.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 81215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).