5-quinolin-4-ylpentan-1-amine

C14H18N2 — CID 71089574

IUPAC5-quinolin-4-ylpentan-1-amine
SMILESNCCCCCc1ccnc2ccccc12
InChIInChI=1S/C14H18N2/c15-10-5-1-2-6-12-9-11-16-14-8-4-3-7-13(12)14/h3-4,7-9,11H,1-2,5-6,10,15H2
InChIKeyZBFXQKXWSJBFRS-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.91
Rot. Bonds5

About 5-quinolin-4-ylpentan-1-amine

5-quinolin-4-ylpentan-1-amine (PubChem CID 71089574) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-quinolin-4-ylpentan-1-amine.

Molecular Properties

Compound Name5-quinolin-4-ylpentan-1-amine
PubChem CID71089574
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-quinolin-4-ylpentan-1-amine
SMILESNCCCCCc1ccnc2ccccc12
InChIInChI=1S/C14H18N2/c15-10-5-1-2-6-12-9-11-16-14-8-4-3-7-13(12)14/h3-4,7-9,11H,1-2,5-6,10,15H2
InChIKeyZBFXQKXWSJBFRS-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.91
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

4-quinolin-4-ylbutan-1-amine
CID 10559963
3-quinolin-4-ylpropan-1-ol
CID 21218471
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
6-quinolin-4-ylhexan-2-ol
CID 90935921
8-naphthalen-1-yloctan-1-amine
CID 100987116
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
4-[8-(trifluoromethyl)quinolin-4-yl]butan-1-amine
CID 20737628
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-isoquinolin-1-ylbutan-1-amine
CID 57124136
5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305159
3,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81014335

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-4-ylpentan-1-amine?
The IUPAC name of 5-quinolin-4-ylpentan-1-amine (CID 71089574) is 5-quinolin-4-ylpentan-1-amine.
What is the SMILES notation for 5-quinolin-4-ylpentan-1-amine?
The canonical SMILES for 5-quinolin-4-ylpentan-1-amine is NCCCCCc1ccnc2ccccc12.
What is the InChIKey of 5-quinolin-4-ylpentan-1-amine?
The InChIKey is ZBFXQKXWSJBFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-10-5-1-2-6-12-9-11-16-14-8-4-3-7-13(12)14/h3-4,7-9,11H,1-2,5-6,10,15H2.
What are the key properties of 5-quinolin-4-ylpentan-1-amine?
5-quinolin-4-ylpentan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-4-ylpentan-1-amine is sourced from PubChem (CID 71089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).