3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine

C12H19N — CID 129144726

IUPAC3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CC1C=CC=CC1)NC(C)C
InChIInChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-7,10,12-13H,3,8-9H2,1-2H3
InChIKeyOPCLYUKICGGPPA-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.02
Rot. Bonds4

About 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine

3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine (PubChem CID 129144726) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
PubChem CID129144726
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CC1C=CC=CC1)NC(C)C
InChIInChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-7,10,12-13H,3,8-9H2,1-2H3
InChIKeyOPCLYUKICGGPPA-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine (CID 129144726) is 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine is C=C(CC1C=CC=CC1)NC(C)C.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is OPCLYUKICGGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-7,10,12-13H,3,8-9H2,1-2H3.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine?
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 177.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 129144726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).