2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine

C16H22N2 — CID 64506111

IUPAC2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCc1cnc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3
InChIKeyUNCMBGJRUBUXBJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine

2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine (PubChem CID 64506111) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
PubChem CID64506111
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCc1cnc2ccccc2c1
InChIInChI=1S/C16H22N2/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3
InChIKeyUNCMBGJRUBUXBJ-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutyl)quinoline
CID 58808300
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
3-(3-ethoxypropyl)quinoline
CID 91801315
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558
2-quinolin-3-ylethanol
CID 53403774
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
3-(3-bromo-4,4-dimethylpentyl)quinoline
CID 64506762
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
3-(4-phenylpentyl)quinoline
CID 158257527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine (CID 64506111) is 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine is CC(C)(C)NCCCc1cnc2ccccc2c1.
What is the InChIKey of 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine?
The InChIKey is UNCMBGJRUBUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)18-10-6-7-13-11-14-8-4-5-9-15(14)17-12-13/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine?
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine is sourced from PubChem (CID 64506111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).