N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine

C12H18N2O — CID 112715970

IUPACN-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
SMILESCC1(C)CCc2oncc2C1NC1CC1
InChIInChI=1S/C12H18N2O/c1-12(2)6-5-10-9(7-13-15-10)11(12)14-8-3-4-8/h7-8,11,14H,3-6H2,1-2H3
InChIKeyCIDZCMFVIFKYIN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.44
Rot. Bonds2

About N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine

N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine (PubChem CID 112715970) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
PubChem CID112715970
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
SMILESCC1(C)CCc2oncc2C1NC1CC1
InChIInChI=1S/C12H18N2O/c1-12(2)6-5-10-9(7-13-15-10)11(12)14-8-3-4-8/h7-8,11,14H,3-6H2,1-2H3
InChIKeyCIDZCMFVIFKYIN-UHFFFAOYSA-N
XLogP2.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The IUPAC name of N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine (CID 112715970) is N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine.
What is the SMILES notation for N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The canonical SMILES for N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine is CC1(C)CCc2oncc2C1NC1CC1.
What is the InChIKey of N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The InChIKey is CIDZCMFVIFKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2)6-5-10-9(7-13-15-10)11(12)14-8-3-4-8/h7-8,11,14H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine has a molecular weight of 206.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine is sourced from PubChem (CID 112715970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).