ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine

C19H42N2 — CID 142055548

IUPACethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine
SMILESC=CC1=NCCC=C1C(=C)C.CC.CC.CC.CC.CN
InChIInChI=1S/C10H13N.4C2H6.CH5N/c1-4-10-9(8(2)3)6-5-7-11-10;5*1-2/h4,6H,1-2,5,7H2,3H3;4*1-2H3;2H2,1H3
InChIKeyVUYBBMLZMGVCDZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.20
Rot. Bonds2

About ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine

ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine (PubChem CID 142055548) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine.

Molecular Properties

Compound Nameethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine
PubChem CID142055548
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Nameethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine
SMILESC=CC1=NCCC=C1C(=C)C.CC.CC.CC.CC.CN
InChIInChI=1S/C10H13N.4C2H6.CH5N/c1-4-10-9(8(2)3)6-5-7-11-10;5*1-2/h4,6H,1-2,5,7H2,3H3;4*1-2H3;2H2,1H3
InChIKeyVUYBBMLZMGVCDZ-UHFFFAOYSA-N
XLogP6.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3Z,6E)-6-ethyl-9,9,9-trifluoro-2,5-dimethylidene-8-methyliminonona-3,6-dien-1-amine
CID 144306539
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
3-ethyl-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 89231732
1-N,2-N,3-trimethylcyclohexa-3,5-diene-1,2-diimine
CID 89378852
2-[2-[7-(aminomethyl)-3-methyl-2H-azepin-4-yl]ethenyl]hex-2-en-1-amine
CID 91290535
4-N-ethyl-2-methylcyclohexa-2,5-diene-1,4-diimine
CID 123632189
(4Z)-4-ethyl-2-N-(3-methylpent-2-enyl)-5-(2-methylprop-2-enyl)nona-4,7-diene-2,3-diimine
CID 123742269
(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
CID 123920861
(4E,6E,8Z)-5,6,9-trimethyl-8-[(propan-2-ylideneamino)methylidene]deca-4,6,9-trien-3-imine
CID 123989743
(Z)-2-[[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-3,3-dimethylbut-1-en-1-amine
CID 129143105
(1E,3Z)-2-[C,N-bis[(Z)-prop-1-enyl]carbonimidoyl]hexa-1,3,5-trien-1-amine
CID 129191557
1-[(5Z,6E)-6-but-3-en-2-ylidene-5-propylidene-2-pyridinyl]propan-2-amine
CID 130394109

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine?
The IUPAC name of ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine (CID 142055548) is ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine.
What is the SMILES notation for ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine?
The canonical SMILES for ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine is C=CC1=NCCC=C1C(=C)C.CC.CC.CC.CC.CN.
What is the InChIKey of ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine?
The InChIKey is VUYBBMLZMGVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.4C2H6.CH5N/c1-4-10-9(8(2)3)6-5-7-11-10;5*1-2/h4,6H,1-2,5,7H2,3H3;4*1-2H3;2H2,1H3.
What are the key properties of ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine?
ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine has a molecular weight of 298.56 g/mol, XLogP of 6.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-prop-1-en-2-yl-2,3-dihydropyridine;methanamine is sourced from PubChem (CID 142055548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).