ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine

C16H28N2 — CID 144801076

IUPACethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CCC)/C1=N/C=C\C.CC
InChIInChI=1S/C14H22N2.C2H6/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3;1-2/h6,9,11H,4-5,7-8,10H2,1-3H3;1-2H3/b9-6-,15-14+;
InChIKeyLYMHGPUMSHQKTL-ZLBVQVRPSA-N
MW248.41 g/mol
LogP4.91
Rot. Bonds5

About ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine

ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine (PubChem CID 144801076) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine.

Molecular Properties

Compound Nameethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
PubChem CID144801076
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Nameethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CCC)/C1=N/C=C\C.CC
InChIInChI=1S/C14H22N2.C2H6/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3;1-2/h6,9,11H,4-5,7-8,10H2,1-3H3;1-2H3/b9-6-,15-14+;
InChIKeyLYMHGPUMSHQKTL-ZLBVQVRPSA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[2-fluoroethyl(hexa-3,5-dien-3-yl)amino]-2-methylbuta-1,3-dienyl]-N,N-dimethylethanimidamide
CID 123669469
(E)-5-fluoro-N',2,5-trimethyl-N-(3-methylbut-1-en-2-yl)-4-methylidene-N-propylhex-2-enimidamide
CID 130439404
(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
(3E)-N-[(Z)-but-2-en-2-yl]-3-butylidene-1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrol-2-imine;ethane
CID 176970794
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
(3E)-N-[(Z)-but-2-en-2-yl]-3-butylidene-1-methyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrrol-2-imine
CID 176970795
1,13-Diazatetracyclo[7.5.1.05,15.010,14]pentadeca-2,5(15),6,9,11,13-hexaene
CID 21887297
N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
CID 57083440
4,8-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666523
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531
3,3,7-Trimethyl-2-methylidenepyrrolo[2,3-b]pyridine
CID 60101140

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The IUPAC name of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine (CID 144801076) is ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine.
What is the SMILES notation for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The canonical SMILES for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine is C=C1C=C(CCC)N(CCC)/C1=N/C=C\C.CC.
What is the InChIKey of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
The InChIKey is LYMHGPUMSHQKTL-ZLBVQVRPSA-N. The full InChI is InChI=1S/C14H22N2.C2H6/c1-5-8-13-11-12(4)14(15-9-6-2)16(13)10-7-3;1-2/h6,9,11H,4-5,7-8,10H2,1-3H3;1-2H3/b9-6-,15-14+;.
What are the key properties of ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine?
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine has a molecular weight of 248.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine is sourced from PubChem (CID 144801076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).