N'-quinolin-5-ylpropanimidamide

C12H13N3 — CID 63174316

IUPACN'-quinolin-5-ylpropanimidamide
SMILESCC/C(N)=N\c1cccc2ncccc12
InChIInChI=1S/C12H13N3/c1-2-12(13)15-11-7-3-6-10-9(11)5-4-8-14-10/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyAALNTKXCGCMTTO-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.63
Rot. Bonds2

About N'-quinolin-5-ylpropanimidamide

N'-quinolin-5-ylpropanimidamide (PubChem CID 63174316) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N'-quinolin-5-ylpropanimidamide.

Molecular Properties

Compound NameN'-quinolin-5-ylpropanimidamide
PubChem CID63174316
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN'-quinolin-5-ylpropanimidamide
SMILESCC/C(N)=N\c1cccc2ncccc12
InChIInChI=1S/C12H13N3/c1-2-12(13)15-11-7-3-6-10-9(11)5-4-8-14-10/h3-8H,2H2,1H3,(H2,13,15)
InChIKeyAALNTKXCGCMTTO-UHFFFAOYSA-N
XLogP2.63
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-quinolin-8-ylpropanimidamide
CID 63174469
N'-quinolin-5-ylcyclopropanecarboximidamide
CID 63174319
ethane;5-ethylquinoline
CID 143401043
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
CID 104774115
N'-(2-propylphenyl)propanimidamide
CID 63177634
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
ethane;1,5-naphthyridine;propane
CID 142434189
N'-naphthalen-1-yl-2-sulfanylethanimidamide
CID 90668652
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-(3-amino-3-hydroxyiminopropyl)-N-methylquinoline-5-carboxamide
CID 76951122
5-bromoquinoline;ethane
CID 142484600

Frequently Asked Questions

What is the IUPAC name of N'-quinolin-5-ylpropanimidamide?
The IUPAC name of N'-quinolin-5-ylpropanimidamide (CID 63174316) is N'-quinolin-5-ylpropanimidamide.
What is the SMILES notation for N'-quinolin-5-ylpropanimidamide?
The canonical SMILES for N'-quinolin-5-ylpropanimidamide is CC/C(N)=N\c1cccc2ncccc12.
What is the InChIKey of N'-quinolin-5-ylpropanimidamide?
The InChIKey is AALNTKXCGCMTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-12(13)15-11-7-3-6-10-9(11)5-4-8-14-10/h3-8H,2H2,1H3,(H2,13,15).
What are the key properties of N'-quinolin-5-ylpropanimidamide?
N'-quinolin-5-ylpropanimidamide has a molecular weight of 199.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-quinolin-5-ylpropanimidamide is sourced from PubChem (CID 63174316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).