(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine

C13H22N2 — CID 130451291

IUPAC(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine
SMILESCC/C=c1\[nH]cc\c1=C(\CCCC)NC
InChIInChI=1S/C13H22N2/c1-4-6-8-12(14-3)11-9-10-15-13(11)7-5-2/h7,9-10,14-15H,4-6,8H2,1-3H3/b12-11+,13-7-
InChIKeyWNWWQDKXWQCXON-UYTHXWSBSA-N
MW206.33 g/mol
LogP1.72
Rot. Bonds5

About (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine

(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine (PubChem CID 130451291) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine.

Molecular Properties

Compound Name(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine
PubChem CID130451291
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine
SMILESCC/C=c1\[nH]cc\c1=C(\CCCC)NC
InChIInChI=1S/C13H22N2/c1-4-6-8-12(14-3)11-9-10-15-13(11)7-5-2/h7,9-10,14-15H,4-6,8H2,1-3H3/b12-11+,13-7-
InChIKeyWNWWQDKXWQCXON-UYTHXWSBSA-N
XLogP1.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine?
The IUPAC name of (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine (CID 130451291) is (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine.
What is the SMILES notation for (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine?
The canonical SMILES for (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine is CC/C=c1\[nH]cc\c1=C(\CCCC)NC.
What is the InChIKey of (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine?
The InChIKey is WNWWQDKXWQCXON-UYTHXWSBSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-8-12(14-3)11-9-10-15-13(11)7-5-2/h7,9-10,14-15H,4-6,8H2,1-3H3/b12-11+,13-7-.
What are the key properties of (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine?
(1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-methyl-1-[(2Z)-2-propylidene-1H-pyrrol-3-ylidene]pentan-1-amine is sourced from PubChem (CID 130451291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).