(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine

C11H18N2O — CID 83861897

IUPAC(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
SMILESCC(C)c1noc2c1C(CN)CCC2
InChIInChI=1S/C11H18N2O/c1-7(2)11-10-8(6-12)4-3-5-9(10)14-13-11/h7-8H,3-6,12H2,1-2H3
InChIKeyPNNYBMFREBUJCU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.18
Rot. Bonds2

About (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine

(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine (PubChem CID 83861897) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
PubChem CID83861897
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine
SMILESCC(C)c1noc2c1C(CN)CCC2
InChIInChI=1S/C11H18N2O/c1-7(2)11-10-8(6-12)4-3-5-9(10)14-13-11/h7-8H,3-6,12H2,1-2H3
InChIKeyPNNYBMFREBUJCU-UHFFFAOYSA-N
XLogP2.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-1,2-benzoxazol-3-ylmethanamine
CID 23006263
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
N-Methyl-1-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-YL)methanamine hydrochloride
CID 45382085
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
N-Methyl-1-(4,5,6,7-tetrahydrobenzo[d]isoxazol-3-yl)methanamine
CID 23006278
{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazol-3-yl}methanamine
CID 80461712
(5,5-Dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
CID 80461767
(5,5-Difluoro-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine hydrochloride
CID 145867140
N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 2728884
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 5407245
[(Z)-(3,6,6-trimethyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)amino] acetate
CID 5407253
cis-(1S,2R)-2-cyclopropyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 128504126

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The IUPAC name of (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine (CID 83861897) is (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine.
What is the SMILES notation for (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The canonical SMILES for (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine is CC(C)c1noc2c1C(CN)CCC2.
What is the InChIKey of (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
The InChIKey is PNNYBMFREBUJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)11-10-8(6-12)4-3-5-9(10)14-13-11/h7-8H,3-6,12H2,1-2H3.
What are the key properties of (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine?
(3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)methanamine is sourced from PubChem (CID 83861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).