4-tert-butylcyclopenta-1,3-dien-1-amine

C9H15N — CID 58468613

IUPAC4-tert-butylcyclopenta-1,3-dien-1-amine
SMILESCC(C)(C)C1=CC=C(N)C1
InChIInChI=1S/C9H15N/c1-9(2,3)7-4-5-8(10)6-7/h4-5H,6,10H2,1-3H3
InChIKeyIOBQQENHSTXESX-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.21
Rot. Bonds

About 4-tert-butylcyclopenta-1,3-dien-1-amine

4-tert-butylcyclopenta-1,3-dien-1-amine (PubChem CID 58468613) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 4-tert-butylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-tert-butylcyclopenta-1,3-dien-1-amine
PubChem CID58468613
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name4-tert-butylcyclopenta-1,3-dien-1-amine
SMILESCC(C)(C)C1=CC=C(N)C1
InChIInChI=1S/C9H15N/c1-9(2,3)7-4-5-8(10)6-7/h4-5H,6,10H2,1-3H3
InChIKeyIOBQQENHSTXESX-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 4-tert-butylcyclopenta-1,3-dien-1-amine (CID 58468613) is 4-tert-butylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 4-tert-butylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 4-tert-butylcyclopenta-1,3-dien-1-amine is CC(C)(C)C1=CC=C(N)C1.
What is the InChIKey of 4-tert-butylcyclopenta-1,3-dien-1-amine?
The InChIKey is IOBQQENHSTXESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)7-4-5-8(10)6-7/h4-5H,6,10H2,1-3H3.
What are the key properties of 4-tert-butylcyclopenta-1,3-dien-1-amine?
4-tert-butylcyclopenta-1,3-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 58468613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).