4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine

C10H15NO — CID 89073628

IUPAC4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OCC2CC2)=CC1
InChIInChI=1S/C10H15NO/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3,5-6,8-9H,1-2,4,7,11H2
InChIKeyJDDYPLCFTHXGGZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds3

About 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine

4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 89073628) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID89073628
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=CC(OCC2CC2)=CC1
InChIInChI=1S/C10H15NO/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3,5-6,8-9H,1-2,4,7,11H2
InChIKeyJDDYPLCFTHXGGZ-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine (CID 89073628) is 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine is NC1C=CC(OCC2CC2)=CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is JDDYPLCFTHXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3,5-6,8-9H,1-2,4,7,11H2.
What are the key properties of 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89073628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).