[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine

C11H18N2 — CID 144615014

IUPAC[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
SMILESCC/C=C\C1=C(C)N=CCC1CN
InChIInChI=1S/C11H18N2/c1-3-4-5-11-9(2)13-7-6-10(11)8-12/h4-5,7,10H,3,6,8,12H2,1-2H3/b5-4-
InChIKeyWPPMDJVRVRVWCK-PLNGDYQASA-N
MW178.28 g/mol
LogP2.28
Rot. Bonds3

About [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine

[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine (PubChem CID 144615014) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
PubChem CID144615014
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
SMILESCC/C=C\C1=C(C)N=CCC1CN
InChIInChI=1S/C11H18N2/c1-3-4-5-11-9(2)13-7-6-10(11)8-12/h4-5,7,10H,3,6,8,12H2,1-2H3/b5-4-
InChIKeyWPPMDJVRVRVWCK-PLNGDYQASA-N
XLogP2.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-[4-(2H-pyrrol-4-yl)cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316595
(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
CID 89153933
(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine
CID 89153941
1-Cyclohexa-2,4-dien-1-yl-2-iminoethanamine
CID 89214891
8-(Butan-2-ylideneamino)-1,8a-dihydronaphthalen-1-amine
CID 89636924
3,4,7,8-Tetrahydroquinolin-4-ylmethanamine
CID 90137186
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
CID 91524962
N-(2,3-dimethylcyclohexa-1,5-dien-1-yl)propan-1-imine
CID 123784681
(3E,5E,7R)-5-(butylideneamino)-6,7-dimethylnona-1,3,5-trien-4-amine
CID 126593849
3-[[(Z)-but-2-enylidene]amino]-6-methylcyclohexa-1,3-dien-1-amine
CID 129060085
3-Methyl-6-methylidene-5-propan-2-ylpyridin-3-amine
CID 129200499
(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine
CID 134594116

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine?
The IUPAC name of [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine (CID 144615014) is [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine.
What is the SMILES notation for [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine?
The canonical SMILES for [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine is CC/C=C\C1=C(C)N=CCC1CN.
What is the InChIKey of [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine?
The InChIKey is WPPMDJVRVRVWCK-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2/c1-3-4-5-11-9(2)13-7-6-10(11)8-12/h4-5,7,10H,3,6,8,12H2,1-2H3/b5-4-.
What are the key properties of [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine?
[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine has a molecular weight of 178.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine is sourced from PubChem (CID 144615014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).