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

C13H22N2 — CID 144643391

IUPAC(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
SMILESCCC1=C(C)C(/C=C(\NC)C(C)C)=NC1
InChIInChI=1S/C13H22N2/c1-6-11-8-15-13(10(11)4)7-12(14-5)9(2)3/h7,9,14H,6,8H2,1-5H3/b12-7-
InChIKeyLWKJXOQOKXABLN-GHXNOFRVSA-N
MW206.33 g/mol
LogP2.93
Rot. Bonds4

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

(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine (PubChem CID 144643391) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
PubChem CID144643391
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine
SMILESCCC1=C(C)C(/C=C(\NC)C(C)C)=NC1
InChIInChI=1S/C13H22N2/c1-6-11-8-15-13(10(11)4)7-12(14-5)9(2)3/h7,9,14H,6,8H2,1-5H3/b12-7-
InChIKeyLWKJXOQOKXABLN-GHXNOFRVSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
1-cyclopropyl-3-[(2E,5E)-2-fluoro-5-(methylamino)hepta-2,5-dienyl]iminohept-1-en-1-amine
CID 173750698
(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
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
((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
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
3,5-dimethyl-N-(3-methylbut-1-en-2-yl)-2H-pyrrol-4-amine
CID 68102994

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine (CID 144643391) is (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine is CCC1=C(C)C(/C=C(\NC)C(C)C)=NC1.
What is the InChIKey of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine?
The InChIKey is LWKJXOQOKXABLN-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-11-8-15-13(10(11)4)7-12(14-5)9(2)3/h7,9,14H,6,8H2,1-5H3/b12-7-.
What are the key properties of (Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine?
(Z)-1-(3-ethyl-4-methyl-2H-pyrrol-5-yl)-N,3-dimethylbut-1-en-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.93, 4 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,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 144643391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).