N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine

C12H18N2 — CID 143882550

IUPACN-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine
SMILESCC/C=C\N=C(/CC)C1=CN=CCC1
InChIInChI=1S/C12H18N2/c1-3-5-9-14-12(4-2)11-7-6-8-13-10-11/h5,8-10H,3-4,6-7H2,1-2H3/b9-5-,14-12+
InChIKeyPOCZNXDRFLZLFK-URGDIRINSA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds4

About N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine

N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine (PubChem CID 143882550) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine
PubChem CID143882550
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine
SMILESCC/C=C\N=C(/CC)C1=CN=CCC1
InChIInChI=1S/C12H18N2/c1-3-5-9-14-12(4-2)11-7-6-8-13-10-11/h5,8-10H,3-4,6-7H2,1-2H3/b9-5-,14-12+
InChIKeyPOCZNXDRFLZLFK-URGDIRINSA-N
XLogP3.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
3-[(ethylideneamino)methylidene]-2-methylidene-N-prop-1-enylpent-4-en-1-imine
CID 91480491
(3Z,7Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 91866613
1-N-ethenyl-3-methyl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 117758407
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
N-ethyl-6-methyl-3,4-dihydroazepin-5-imine
CID 123756348
N-[(2-methyl-3-methylidene-4-pyridinylidene)methyl]methanimine
CID 123822051
N-[(Z)-hex-1-enyl]oct-1-en-3-imine
CID 124117736
1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
CID 126593497
(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine
CID 129170346
N-methyl-3-methylidenepyridin-4-imine
CID 130207751

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine?
The IUPAC name of N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine (CID 143882550) is N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine is CC/C=C\N=C(/CC)C1=CN=CCC1.
What is the InChIKey of N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine?
The InChIKey is POCZNXDRFLZLFK-URGDIRINSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-5-9-14-12(4-2)11-7-6-8-13-10-11/h5,8-10H,3-4,6-7H2,1-2H3/b9-5-,14-12+.
What are the key properties of N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine?
N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine has a molecular weight of 190.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-1-(3,4-dihydropyridin-5-yl)propan-1-imine is sourced from PubChem (CID 143882550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).