N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine

C11H18N2 — CID 91253432

IUPACN-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
SMILESC/N=C/C=C1C=CN(C(C)C)C1C
InChIInChI=1S/C11H18N2/c1-9(2)13-8-6-11(10(13)3)5-7-12-4/h5-10H,1-4H3/b11-5?,12-7+
InChIKeyJKROXHFZBYECCK-IZYGHGNLSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds2

About N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine

N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine (PubChem CID 91253432) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
PubChem CID91253432
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine
SMILESC/N=C/C=C1C=CN(C(C)C)C1C
InChIInChI=1S/C11H18N2/c1-9(2)13-8-6-11(10(13)3)5-7-12-4/h5-10H,1-4H3/b11-5?,12-7+
InChIKeyJKROXHFZBYECCK-IZYGHGNLSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
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

1,2-Dimethyl-5,7a-dihydropyrrolo[2,3-c]pyridine
CID 54026924
1-methyl-3-[(1-methyl-2H-pyrrol-1-ium-3-yl)methylidene]-2H-pyrrole
CID 54207140
1-methyl-2-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-4-[2-(1-methyl-2H-pyrrol-3-ylidene)ethylidene]pyrrolidine
CID 59085247
[(2E,4Z,6E,8E)-9-(dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 59109574
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 59874184
[9-(Dimethylamino)-5-[2-(dimethylamino)prop-1-enyl]nona-2,4,6,8-tetraenylidene]-dimethylazanium
CID 72519405
(2Z,4E)-5-(1,2-dimethyl-2-pyridinyl)-N-methylhexa-2,4-dien-1-imine
CID 90152403
ethane;1-methyl-3-[3-(1-methyl-2H-pyrrol-1-ium-3-yl)prop-2-enylidene]-2H-pyrrole
CID 91292357
N-methyl-N-[(3-methylidene-2-pyridinylidene)methyl]ethanamine
CID 123177991
N-(1-ethenyl-5,6-dimethyl-2H-pyridin-4-yl)ethanimine
CID 123272238
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine?
The IUPAC name of N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine (CID 91253432) is N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine.
What is the SMILES notation for N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine?
The canonical SMILES for N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine is C/N=C/C=C1C=CN(C(C)C)C1C.
What is the InChIKey of N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine?
The InChIKey is JKROXHFZBYECCK-IZYGHGNLSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)13-8-6-11(10(13)3)5-7-12-4/h5-10H,1-4H3/b11-5?,12-7+.
What are the key properties of N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine?
N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1-propan-2-yl-2H-pyrrol-3-ylidene)ethanimine is sourced from PubChem (CID 91253432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).