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

C12H19NO — CID 89153855

IUPAC3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C(C)=C1OCC1CC1
InChIInChI=1S/C12H19NO/c1-8-3-6-11(13)9(2)12(8)14-7-10-4-5-10/h3,10-11H,4-7,13H2,1-2H3
InChIKeySDXUCFRWGOEKMJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds3

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

3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 89153855) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID89153855
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C(C)=C1OCC1CC1
InChIInChI=1S/C12H19NO/c1-8-3-6-11(13)9(2)12(8)14-7-10-4-5-10/h3,10-11H,4-7,13H2,1-2H3
InChIKeySDXUCFRWGOEKMJ-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine (CID 89153855) is 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine is CC1=CCC(N)C(C)=C1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is SDXUCFRWGOEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-3-6-11(13)9(2)12(8)14-7-10-4-5-10/h3,10-11H,4-7,13H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine?
3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-2,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89153855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).