(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine

C11H18N2 — CID 163919877

IUPAC(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESCCC1=C(C)C(/C=C(/C)NC)=NC1
InChIInChI=1S/C11H18N2/c1-5-10-7-13-11(9(10)3)6-8(2)12-4/h6,12H,5,7H2,1-4H3/b8-6-
InChIKeyQZMYJUASAYXIBC-VURMDHGXSA-N
MW178.28 g/mol
LogP2.29
Rot. Bonds3

About (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine

(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (PubChem CID 163919877) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
PubChem CID163919877
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESCCC1=C(C)C(/C=C(/C)NC)=NC1
InChIInChI=1S/C11H18N2/c1-5-10-7-13-11(9(10)3)6-8(2)12-4/h6,12H,5,7H2,1-4H3/b8-6-
InChIKeyQZMYJUASAYXIBC-VURMDHGXSA-N
XLogP2.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine 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

(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(4E)-3-(4-fluorocyclobuta-1,3-dien-1-yl)imino-N',2,5-trimethylhepta-1,4-diene-1,7-diamine
CID 174027021
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
(1Z,5E)-4-ethylimino-7,7,7-trifluoro-1-N,6-dimethylhepta-1,5-diene-1,2-diamine
CID 177356988
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
CID 68983220
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-ethyl-amine
CID 68983223
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-methyl-amine
CID 69247067

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The IUPAC name of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (CID 163919877) is (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The canonical SMILES for (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is CCC1=C(C)C(/C=C(/C)NC)=NC1.
What is the InChIKey of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The InChIKey is QZMYJUASAYXIBC-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10-7-13-11(9(10)3)6-8(2)12-4/h6,12H,5,7H2,1-4H3/b8-6-.
What are the key properties of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 163919877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).