4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine

C10H17NO — CID 70218656

IUPAC4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(NC(C)C)=CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-6,8,10-11H,7H2,1-3H3
InChIKeyNGUKHJGETMCDAU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds3

About 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine

4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 70218656) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID70218656
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
SMILESCOC1C=CC(NC(C)C)=CC1
InChIInChI=1S/C10H17NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-6,8,10-11H,7H2,1-3H3
InChIKeyNGUKHJGETMCDAU-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine (CID 70218656) is 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine is COC1C=CC(NC(C)C)=CC1.
What is the InChIKey of 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is NGUKHJGETMCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)11-9-4-6-10(12-3)7-5-9/h4-6,8,10-11H,7H2,1-3H3.
What are the key properties of 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine?
4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70218656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).