4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

C12H19N — CID 134549872

IUPAC4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=C(CC)CCC(NC)=C1
InChIInChI=1S/C12H19N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h8,13H,2,5-7H2,1,3-4H3
InChIKeyXWXWFAMSPXBGCF-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds3

About 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine

4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 134549872) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID134549872
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
SMILESC=C(C)C1=C(CC)CCC(NC)=C1
InChIInChI=1S/C12H19N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h8,13H,2,5-7H2,1,3-4H3
InChIKeyXWXWFAMSPXBGCF-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine (CID 134549872) is 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is C=C(C)C1=C(CC)CCC(NC)=C1.
What is the InChIKey of 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is XWXWFAMSPXBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-10-6-7-11(13-4)8-12(10)9(2)3/h8,13H,2,5-7H2,1,3-4H3.
What are the key properties of 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine?
4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134549872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).