2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine

C16H22N2 — CID 81221155

IUPAC2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCc1cccc2ncccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)18-12-5-8-13-7-4-10-15-14(13)9-6-11-17-15/h4,6-7,9-11,18H,5,8,12H2,1-3H3
InChIKeyIGKIWFYOBDQARN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine

2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine (PubChem CID 81221155) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
PubChem CID81221155
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
SMILESCC(C)(C)NCCCc1cccc2ncccc12
InChIInChI=1S/C16H22N2/c1-16(2,3)18-12-5-8-13-7-4-10-15-14(13)9-6-11-17-15/h4,6-7,9-11,18H,5,8,12H2,1-3H3
InChIKeyIGKIWFYOBDQARN-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

N-methyl-2-quinolin-5-ylethanamine
CID 76694367
5-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222032
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
ethane;5-ethylquinoline
CID 143401043
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
N-[2-(2-ethyl-3-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 155163873
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
3-quinolin-5-ylpropanoic acid
CID 81224223
N-(3-naphthalen-1-ylpropyl)-2-phenylpropan-2-amine
CID 70274234
2-amino-5-quinolin-5-ylpentanamide
CID 174575975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine (CID 81221155) is 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine is CC(C)(C)NCCCc1cccc2ncccc12.
What is the InChIKey of 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine?
The InChIKey is IGKIWFYOBDQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)18-12-5-8-13-7-4-10-15-14(13)9-6-11-17-15/h4,6-7,9-11,18H,5,8,12H2,1-3H3.
What are the key properties of 2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine?
2-methyl-N-(3-quinolin-5-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-5-ylpropyl)propan-2-amine is sourced from PubChem (CID 81221155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).