(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine

C14H24N2 — CID 129236600

IUPAC(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine
SMILESCCC1=C(C)NC/C1=C(N)\C=C/C(C)CC
InChIInChI=1S/C14H24N2/c1-5-10(3)7-8-14(15)13-9-16-11(4)12(13)6-2/h7-8,10,16H,5-6,9,15H2,1-4H3/b8-7-,14-13-
InChIKeyJCTYFTIIZBEXQG-WRKWTSPFSA-N
MW220.36 g/mol
LogP3.09
Rot. Bonds4

About (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine

(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine (PubChem CID 129236600) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine
PubChem CID129236600
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine
SMILESCCC1=C(C)NC/C1=C(N)\C=C/C(C)CC
InChIInChI=1S/C14H24N2/c1-5-10(3)7-8-14(15)13-9-16-11(4)12(13)6-2/h7-8,10,16H,5-6,9,15H2,1-4H3/b8-7-,14-13-
InChIKeyJCTYFTIIZBEXQG-WRKWTSPFSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine?
The IUPAC name of (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine (CID 129236600) is (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine.
What is the SMILES notation for (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine?
The canonical SMILES for (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine is CCC1=C(C)NC/C1=C(N)\C=C/C(C)CC.
What is the InChIKey of (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine?
The InChIKey is JCTYFTIIZBEXQG-WRKWTSPFSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-10(3)7-8-14(15)13-9-16-11(4)12(13)6-2/h7-8,10,16H,5-6,9,15H2,1-4H3/b8-7-,14-13-.
What are the key properties of (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine?
(Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-1-(4-ethyl-5-methyl-1,2-dihydropyrrol-3-ylidene)-4-methylhex-2-en-1-amine is sourced from PubChem (CID 129236600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).