N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide

C12H25N3O — CID 142345197

IUPACN,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide
SMILESCC.CCNC=O.CNC1=CC(C)=CNC1
InChIInChI=1S/C7H12N2.C3H7NO.C2H6/c1-6-3-7(8-2)5-9-4-6;1-2-4-3-5;1-2/h3-4,8-9H,5H2,1-2H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyCVLJDFKUSVKKON-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds3

About N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide

N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide (PubChem CID 142345197) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide.

Molecular Properties

Compound NameN,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide
PubChem CID142345197
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide
SMILESCC.CCNC=O.CNC1=CC(C)=CNC1
InChIInChI=1S/C7H12N2.C3H7NO.C2H6/c1-6-3-7(8-2)5-9-4-6;1-2-4-3-5;1-2/h3-4,8-9H,5H2,1-2H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyCVLJDFKUSVKKON-UHFFFAOYSA-N
XLogP1.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3E,5Z)-3-[[(2R)-2-aminopropyl]amino]-1-fluoro-5-methylhepta-1,3,5-trien-2-yl]formamide
CID 144684463
N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
CID 57194411
N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)formamide
CID 57234254
N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
CID 123444825
N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
CID 130444106
N-[2-[[(3Z,5E)-6-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]amino]ethyl]formamide
CID 132096229
N-[2-(ethylamino)ethyl]-N-[(3E,5Z)-6-(methylamino)hepta-3,5-dien-3-yl]formamide
CID 134406787
N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide
CID 134502576
N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
CID 134525628
N-methyl-N-[(3E,5Z)-5-methyl-3-(methylamino)nona-1,3,5-trien-2-yl]formamide
CID 134567557
N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide
CID 137427658
ethane;N-ethylformamide;N,1,5-trimethyl-2H-pyridin-3-amine
CID 142345276

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide?
The IUPAC name of N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide (CID 142345197) is N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide.
What is the SMILES notation for N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide?
The canonical SMILES for N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide is CC.CCNC=O.CNC1=CC(C)=CNC1.
What is the InChIKey of N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide?
The InChIKey is CVLJDFKUSVKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C3H7NO.C2H6/c1-6-3-7(8-2)5-9-4-6;1-2-4-3-5;1-2/h3-4,8-9H,5H2,1-2H3;3H,2H2,1H3,(H,4,5);1-2H3.
What are the key properties of N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide?
N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide has a molecular weight of 227.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,2-dihydropyridin-3-amine;ethane;N-ethylformamide is sourced from PubChem (CID 142345197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).