ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine

C11H20N2 — CID 144600040

IUPACethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
SMILESC=NC1=C(/C=C\C)CN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-8-6-11(3)7-9(8)10-2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-;
InChIKeyFFKDBQYCJMULEW-MKWAYWHRSA-N
MW180.29 g/mol
LogP2.49
Rot. Bonds2

About ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine

ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine (PubChem CID 144600040) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
PubChem CID144600040
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
SMILESC=NC1=C(/C=C\C)CN(C)C1.CC
InChIInChI=1S/C9H14N2.C2H6/c1-4-5-8-6-11(3)7-9(8)10-2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-;
InChIKeyFFKDBQYCJMULEW-MKWAYWHRSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.49
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

N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790
Bis(diethylamino)fulvene
CID 129655938
N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 89324984
N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine
CID 123166780
N'-(3,5-dimethylhepta-2,4-dien-2-yl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 123569859
N',N'-diethyl-N-(2-ethylidenepent-3-enyl)-N-methylethane-1,2-diamine
CID 123843490
N'-ethyl-N'-[(2E,3Z)-2-ethylidenehepta-3,6-dienyl]-N,N-dimethylethane-1,2-diamine
CID 130183526
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 134286368
N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine
CID 134286718
9-Tert-butyl-2,9-diazabicyclo[5.3.0]deca-1(7),2,3,5-tetraene
CID 137384737
N'-[(2Z,4Z)-4,6-dimethylhepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 139516197
N'-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 141838542

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The IUPAC name of ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine (CID 144600040) is ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine.
What is the SMILES notation for ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The canonical SMILES for ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine is C=NC1=C(/C=C\C)CN(C)C1.CC.
What is the InChIKey of ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
The InChIKey is FFKDBQYCJMULEW-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-4-5-8-6-11(3)7-9(8)10-2;1-2/h4-5H,2,6-7H2,1,3H3;1-2H3/b5-4-;.
What are the key properties of ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine?
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine is sourced from PubChem (CID 144600040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).