N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine

C14H20N2 — CID 143620509

IUPACN-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine
SMILESC=N/C=C\C=C1\C=C(CCCC(=C)C)NC1
InChIInChI=1S/C14H20N2/c1-12(2)6-4-8-14-10-13(11-16-14)7-5-9-15-3/h5,7,9-10,16H,1,3-4,6,8,11H2,2H3/b9-5-,13-7-
InChIKeyOIVZNEGZSVTDEG-YLILQMPISA-N
MW216.33 g/mol
LogP3.36
Rot. Bonds6

About N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine

N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine (PubChem CID 143620509) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine
PubChem CID143620509
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine
SMILESC=N/C=C\C=C1\C=C(CCCC(=C)C)NC1
InChIInChI=1S/C14H20N2/c1-12(2)6-4-8-14-10-13(11-16-14)7-5-9-15-3/h5,7,9-10,16H,1,3-4,6,8,11H2,2H3/b9-5-,13-7-
InChIKeyOIVZNEGZSVTDEG-YLILQMPISA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-[(3Z,5E)-6-(1H-azirin-2-yl)-3-(1-fluoroethenyl)-4-methylhepta-3,5-dien-2-yl]-3-[(Z)-but-2-enylidene]-4-propyl-1,2-dihydropyrrole
CID 155062495
(2E,4Z)-6-fluoro-1-N-methyl-5-(methylideneamino)-2-propylhepta-2,4-diene-1,6-diamine
CID 156395033
(3Z,4E,5Z)-4-ethylidene-N-[[(5E)-8-fluoro-2-methylcycloocta-1,5,7-trien-1-yl]methyl]-3-[(methylideneamino)methylidene]hepta-1,5-dien-2-amine
CID 174005822
(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine
CID 143342084
N-propyl-3,4,7,9-tetrahydro-2H-carbazol-2-amine
CID 54383683
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
(Z)-2-(5-ethenyl-2-methyl-2,3-dihydro-1H-pyrrol-4-yl)ethenamine
CID 68248182
1-[(5E)-5-but-2-enylidene-4-methylidene-1H-pyrrol-3-yl]-2-methylpropan-2-amine
CID 71124311
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
2-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1H-pyrrol-3-yl]ethanamine
CID 89169791
(3Z,5Z)-3-(1,2,3,6-tetrahydropyridin-4-yl)hepta-1,3,5-trien-4-amine
CID 89222218
6-N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]hept-6-ene-1,6-diamine
CID 89262994

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine?
The IUPAC name of N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine (CID 143620509) is N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine is C=N/C=C\C=C1\C=C(CCCC(=C)C)NC1.
What is the InChIKey of N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine?
The InChIKey is OIVZNEGZSVTDEG-YLILQMPISA-N. The full InChI is InChI=1S/C14H20N2/c1-12(2)6-4-8-14-10-13(11-16-14)7-5-9-15-3/h5,7,9-10,16H,1,3-4,6,8,11H2,2H3/b9-5-,13-7-.
What are the key properties of N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine?
N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine has a molecular weight of 216.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine is sourced from PubChem (CID 143620509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).