N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine

C14H20N2 — CID 129272760

IUPACN-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine
SMILESC=C/C=c1/c(C(C)NC)c(C)[nH]/c1=C/C=C
InChIInChI=1S/C14H20N2/c1-6-8-12-13(9-7-2)16-11(4)14(12)10(3)15-5/h6-10,15-16H,1-2H2,3-5H3/b12-8+,13-9+
InChIKeyFTCWDFGRTWVLLM-QHKWOANTSA-N
MW216.33 g/mol
LogP1.54
Rot. Bonds4

About N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine

N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine (PubChem CID 129272760) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine
PubChem CID129272760
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine
SMILESC=C/C=c1/c(C(C)NC)c(C)[nH]/c1=C/C=C
InChIInChI=1S/C14H20N2/c1-6-8-12-13(9-7-2)16-11(4)14(12)10(3)15-5/h6-10,15-16H,1-2H2,3-5H3/b12-8+,13-9+
InChIKeyFTCWDFGRTWVLLM-QHKWOANTSA-N
XLogP1.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine with MolForge

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Related Compounds

2-Hexenyl-5-nonyl-pyrroline
CID 129866570
Dihydronicotin
CID 407255
5,6,7-Tetrahydroindole
CID 19835372
5,6-Dihydrotryptamine
CID 67559680
Tetra-hydrocyclopenta[b]azepine
CID 129742811
(4E)-4-methyl-3-methylidene-N-[1-(6-propylcyclohexa-1,5-dien-1-yl)ethenyl]hepta-4,6-dien-1-amine
CID 134223126
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(3E)-N-(fluoromethyl)-4-pyrrolidin-2-ylhexa-3,5-dien-3-amine
CID 130325526
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine (CID 129272760) is N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine is C=C/C=c1/c(C(C)NC)c(C)[nH]/c1=C/C=C.
What is the InChIKey of N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine?
The InChIKey is FTCWDFGRTWVLLM-QHKWOANTSA-N. The full InChI is InChI=1S/C14H20N2/c1-6-8-12-13(9-7-2)16-11(4)14(12)10(3)15-5/h6-10,15-16H,1-2H2,3-5H3/b12-8+,13-9+.
What are the key properties of N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine?
N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4Z,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 129272760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).