2-cyclohexa-1,5-dien-1-ylpropan-2-amine

C9H15N — CID 70130715

IUPAC2-cyclohexa-1,5-dien-1-ylpropan-2-amine
SMILESCC(C)(N)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-9(2,10)8-6-4-3-5-7-8/h4,6-7H,3,5,10H2,1-2H3
InChIKeyRBNIUPOEWWXGND-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.00
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylpropan-2-amine

2-cyclohexa-1,5-dien-1-ylpropan-2-amine (PubChem CID 70130715) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylpropan-2-amine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylpropan-2-amine
PubChem CID70130715
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclohexa-1,5-dien-1-ylpropan-2-amine
SMILESCC(C)(N)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-9(2,10)8-6-4-3-5-7-8/h4,6-7H,3,5,10H2,1-2H3
InChIKeyRBNIUPOEWWXGND-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylpropan-2-amine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylpropan-2-amine (CID 70130715) is 2-cyclohexa-1,5-dien-1-ylpropan-2-amine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylpropan-2-amine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylpropan-2-amine is CC(C)(N)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylpropan-2-amine?
The InChIKey is RBNIUPOEWWXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,10)8-6-4-3-5-7-8/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylpropan-2-amine?
2-cyclohexa-1,5-dien-1-ylpropan-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylpropan-2-amine is sourced from PubChem (CID 70130715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).