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

C10H15NO — CID 89074010

IUPAC3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OCC2CC2)C=CC1
InChIInChI=1S/C10H15NO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1,3,6,8-9H,2,4-5,7,11H2
InChIKeyXKEAGDHHUOPAFF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds3

About 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine

3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine (PubChem CID 89074010) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
PubChem CID89074010
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine
SMILESNC1C=C(OCC2CC2)C=CC1
InChIInChI=1S/C10H15NO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1,3,6,8-9H,2,4-5,7,11H2
InChIKeyXKEAGDHHUOPAFF-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 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine (CID 89074010) is 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine is NC1C=C(OCC2CC2)C=CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
The InChIKey is XKEAGDHHUOPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1,3,6,8-9H,2,4-5,7,11H2.
What are the key properties of 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine?
3-(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 3-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89074010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).