2-pentylquinolin-4-amine

C14H18N2 — CID 14082309

IUPAC2-pentylquinolin-4-amine
SMILESCCCCCc1cc(N)c2ccccc2n1
InChIInChI=1S/C14H18N2/c1-2-3-4-7-11-10-13(15)12-8-5-6-9-14(12)16-11/h5-6,8-10H,2-4,7H2,1H3,(H2,15,16)
InChIKeyQFIMKADQTCVGIW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.55
Rot. Bonds4

About 2-pentylquinolin-4-amine

2-pentylquinolin-4-amine (PubChem CID 14082309) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-pentylquinolin-4-amine.

Molecular Properties

Compound Name2-pentylquinolin-4-amine
PubChem CID14082309
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-pentylquinolin-4-amine
SMILESCCCCCc1cc(N)c2ccccc2n1
InChIInChI=1S/C14H18N2/c1-2-3-4-7-11-10-13(15)12-8-5-6-9-14(12)16-11/h5-6,8-10H,2-4,7H2,1H3,(H2,15,16)
InChIKeyQFIMKADQTCVGIW-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.55
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

2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
2-hexyl-4-methylquinoline
CID 504074
4-chloro-2-decylquinoline
CID 171487257
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
CID 175093861
2-(methoxymethyl)quinolin-4-amine
CID 62320068
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
CID 113319911
4,5-dihydro-1,3-oxazole;2,4-dipentylquinoline
CID 174849155
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
CID 115485727

Frequently Asked Questions

What is the IUPAC name of 2-pentylquinolin-4-amine?
The IUPAC name of 2-pentylquinolin-4-amine (CID 14082309) is 2-pentylquinolin-4-amine.
What is the SMILES notation for 2-pentylquinolin-4-amine?
The canonical SMILES for 2-pentylquinolin-4-amine is CCCCCc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-pentylquinolin-4-amine?
The InChIKey is QFIMKADQTCVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-4-7-11-10-13(15)12-8-5-6-9-14(12)16-11/h5-6,8-10H,2-4,7H2,1H3,(H2,15,16).
What are the key properties of 2-pentylquinolin-4-amine?
2-pentylquinolin-4-amine has a molecular weight of 214.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylquinolin-4-amine is sourced from PubChem (CID 14082309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).