N-but-2-enylquinolin-5-amine

C13H14N2 — CID 139612149

IUPACN-but-2-enylquinolin-5-amine
SMILESCC=CCNc1cccc2ncccc12
InChIInChI=1S/C13H14N2/c1-2-3-9-14-12-7-4-8-13-11(12)6-5-10-15-13/h2-8,10,14H,9H2,1H3
InChIKeyUBOHEPPOGZKMRY-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.22
Rot. Bonds3

About N-but-2-enylquinolin-5-amine

N-but-2-enylquinolin-5-amine (PubChem CID 139612149) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-but-2-enylquinolin-5-amine.

Molecular Properties

Compound NameN-but-2-enylquinolin-5-amine
PubChem CID139612149
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-but-2-enylquinolin-5-amine
SMILESCC=CCNc1cccc2ncccc12
InChIInChI=1S/C13H14N2/c1-2-3-9-14-12-7-4-8-13-11(12)6-5-10-15-13/h2-8,10,14H,9H2,1H3
InChIKeyUBOHEPPOGZKMRY-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
N-ethylquinolin-4-amine
CID 15306588
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
N-(1-cyclopropylpropan-2-yl)quinolin-5-amine
CID 115928345

Frequently Asked Questions

What is the IUPAC name of N-but-2-enylquinolin-5-amine?
The IUPAC name of N-but-2-enylquinolin-5-amine (CID 139612149) is N-but-2-enylquinolin-5-amine.
What is the SMILES notation for N-but-2-enylquinolin-5-amine?
The canonical SMILES for N-but-2-enylquinolin-5-amine is CC=CCNc1cccc2ncccc12.
What is the InChIKey of N-but-2-enylquinolin-5-amine?
The InChIKey is UBOHEPPOGZKMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-3-9-14-12-7-4-8-13-11(12)6-5-10-15-13/h2-8,10,14H,9H2,1H3.
What are the key properties of N-but-2-enylquinolin-5-amine?
N-but-2-enylquinolin-5-amine has a molecular weight of 198.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enylquinolin-5-amine is sourced from PubChem (CID 139612149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).