3-propan-2-ylcyclohexa-2,4-dien-1-amine

C9H15N — CID 146359524

IUPAC3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(N)CC=C1
InChIInChI=1S/C9H15N/c1-7(2)8-4-3-5-9(10)6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyRCEOZSLAWBHQAS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds1

About 3-propan-2-ylcyclohexa-2,4-dien-1-amine

3-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 146359524) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID146359524
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCC(C)C1=CC(N)CC=C1
InChIInChI=1S/C9H15N/c1-7(2)8-4-3-5-9(10)6-8/h3-4,6-7,9H,5,10H2,1-2H3
InChIKeyRCEOZSLAWBHQAS-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 146359524) is 3-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-propan-2-ylcyclohexa-2,4-dien-1-amine is CC(C)C1=CC(N)CC=C1.
What is the InChIKey of 3-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is RCEOZSLAWBHQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)8-4-3-5-9(10)6-8/h3-4,6-7,9H,5,10H2,1-2H3.
What are the key properties of 3-propan-2-ylcyclohexa-2,4-dien-1-amine?
3-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146359524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).