5-propan-2-yloxycyclohexa-1,5-dien-1-amine

C9H15NO — CID 163986135

IUPAC5-propan-2-yloxycyclohexa-1,5-dien-1-amine
SMILESCC(C)OC1=CC(N)=CCC1
InChIInChI=1S/C9H15NO/c1-7(2)11-9-5-3-4-8(10)6-9/h4,6-7H,3,5,10H2,1-2H3
InChIKeyTWMTXXYHGVSWLG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.93
Rot. Bonds2

About 5-propan-2-yloxycyclohexa-1,5-dien-1-amine

5-propan-2-yloxycyclohexa-1,5-dien-1-amine (PubChem CID 163986135) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5-propan-2-yloxycyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-propan-2-yloxycyclohexa-1,5-dien-1-amine
PubChem CID163986135
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5-propan-2-yloxycyclohexa-1,5-dien-1-amine
SMILESCC(C)OC1=CC(N)=CCC1
InChIInChI=1S/C9H15NO/c1-7(2)11-9-5-3-4-8(10)6-9/h4,6-7H,3,5,10H2,1-2H3
InChIKeyTWMTXXYHGVSWLG-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-propan-2-yloxycyclohexa-1,5-dien-1-amine (CID 163986135) is 5-propan-2-yloxycyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-propan-2-yloxycyclohexa-1,5-dien-1-amine is CC(C)OC1=CC(N)=CCC1.
What is the InChIKey of 5-propan-2-yloxycyclohexa-1,5-dien-1-amine?
The InChIKey is TWMTXXYHGVSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)11-9-5-3-4-8(10)6-9/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 5-propan-2-yloxycyclohexa-1,5-dien-1-amine?
5-propan-2-yloxycyclohexa-1,5-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxycyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163986135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).