1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine

C12H19NO — CID 142214762

IUPAC1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine
SMILESC/C=c1/c(CC(C)N)co/c1=C/CC
InChIInChI=1S/C12H19NO/c1-4-6-12-11(5-2)10(8-14-12)7-9(3)13/h5-6,8-9H,4,7,13H2,1-3H3/b11-5-,12-6+
InChIKeyYTDHHRXSVLEKOE-JTAXDKCCSA-N
MW193.29 g/mol
LogP1.16
Rot. Bonds3

About 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine

1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine (PubChem CID 142214762) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine
PubChem CID142214762
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine
SMILESC/C=c1/c(CC(C)N)co/c1=C/CC
InChIInChI=1S/C12H19NO/c1-4-6-12-11(5-2)10(8-14-12)7-9(3)13/h5-6,8-9H,4,7,13H2,1-3H3/b11-5-,12-6+
InChIKeyYTDHHRXSVLEKOE-JTAXDKCCSA-N
XLogP1.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine?
The IUPAC name of 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine (CID 142214762) is 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine.
What is the SMILES notation for 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine?
The canonical SMILES for 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine is C/C=c1/c(CC(C)N)co/c1=C/CC.
What is the InChIKey of 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine?
The InChIKey is YTDHHRXSVLEKOE-JTAXDKCCSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-12-11(5-2)10(8-14-12)7-9(3)13/h5-6,8-9H,4,7,13H2,1-3H3/b11-5-,12-6+.
What are the key properties of 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine?
1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5E)-4-ethylidene-5-propylidenefuran-3-yl]propan-2-amine is sourced from PubChem (CID 142214762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).