1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine

C12H18N2O — CID 121003042

IUPAC1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine
SMILESCN(C)C(=C1C=CC=C1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c1-13(2)12(11-5-3-4-6-11)14-7-9-15-10-8-14/h3-6H,7-10H2,1-2H3
InChIKeyJKDGXWNZSDQLFE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.22
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine

1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine (PubChem CID 121003042) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine
PubChem CID121003042
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine
SMILESCN(C)C(=C1C=CC=C1)N1CCOCC1
InChIInChI=1S/C12H18N2O/c1-13(2)12(11-5-3-4-6-11)14-7-9-15-10-8-14/h3-6H,7-10H2,1-2H3
InChIKeyJKDGXWNZSDQLFE-UHFFFAOYSA-N
XLogP1.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine (CID 121003042) is 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine is CN(C)C(=C1C=CC=C1)N1CCOCC1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine?
The InChIKey is JKDGXWNZSDQLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)12(11-5-3-4-6-11)14-7-9-15-10-8-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine?
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-1-morpholin-4-ylmethanamine is sourced from PubChem (CID 121003042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).