N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane

C11H20N2 — CID 168914281

IUPACN,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane
SMILESC/N=C1\NC=C(C)C1=C(C)C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-6(2)8-7(3)5-11-9(8)10-4;1-2/h5H,1-4H3,(H,10,11);1-2H3
InChIKeyFWSOJPHTZBDFFR-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.88
Rot. Bonds

About N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane

N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane (PubChem CID 168914281) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane.

Molecular Properties

Compound NameN,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane
PubChem CID168914281
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane
SMILESC/N=C1\NC=C(C)C1=C(C)C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-6(2)8-7(3)5-11-9(8)10-4;1-2/h5H,1-4H3,(H,10,11);1-2H3
InChIKeyFWSOJPHTZBDFFR-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
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'}

Analyze N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3,5-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124026877
3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-1-ium
CID 163621742
3-methyl-5-(trifluoromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 163621743
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
(3Z)-N-ethenyl-3-hexan-2-ylidenepyrrol-2-amine
CID 118900424
(2E,3Z)-2-ethylidene-N,N',5-trimethylhexa-3,5-dienimidamide
CID 123185969
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazacyclohepta-2,5,6-triene
CID 123196788
2-methanimidoyl-3-methyl-N-(2-methylbut-1-enyl)-N'-propylbut-2-enimidamide
CID 123851049
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
4-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124190153
(3E)-3-[(E)-3-[(Z)-but-1-enyl]-5-methylhept-3-en-2-ylidene]-N-ethenylpyrrol-2-amine
CID 126660952

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane?
The IUPAC name of N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane (CID 168914281) is N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane.
What is the SMILES notation for N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane?
The canonical SMILES for N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane is C/N=C1\NC=C(C)C1=C(C)C.CC.
What is the InChIKey of N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane?
The InChIKey is FWSOJPHTZBDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-6(2)8-7(3)5-11-9(8)10-4;1-2/h5H,1-4H3,(H,10,11);1-2H3.
What are the key properties of N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane?
N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-propan-2-ylidene-1H-pyrrol-2-imine;ethane is sourced from PubChem (CID 168914281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).