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

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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).