1-cyclohexa-2,4-dien-1-ylpropan-2-amine

C9H15N — CID 21445043

IUPAC1-cyclohexa-2,4-dien-1-ylpropan-2-amine
SMILESCC(N)CC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-8(10)7-9-5-3-2-4-6-9/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBAKDHVKANGKXBZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-ylpropan-2-amine

1-cyclohexa-2,4-dien-1-ylpropan-2-amine (PubChem CID 21445043) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-ylpropan-2-amine
PubChem CID21445043
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-cyclohexa-2,4-dien-1-ylpropan-2-amine
SMILESCC(N)CC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-8(10)7-9-5-3-2-4-6-9/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBAKDHVKANGKXBZ-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-cyclohexa-2,4-dien-1-ylpropan-2-amine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine (CID 21445043) is 1-cyclohexa-2,4-dien-1-ylpropan-2-amine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine is CC(N)CC1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine?
The InChIKey is BAKDHVKANGKXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(10)7-9-5-3-2-4-6-9/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-ylpropan-2-amine?
1-cyclohexa-2,4-dien-1-ylpropan-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-ylpropan-2-amine is sourced from PubChem (CID 21445043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).