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

C11H20N2O — CID 115066365

IUPAC(2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine
SMILESCC(C)C1=NC2CCC(CN)CC2O1
InChIInChI=1S/C11H20N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h7-10H,3-6,12H2,1-2H3
InChIKeyNNPSQQISYUOTPV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.57
Rot. Bonds2

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

(2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine (PubChem CID 115066365) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine
PubChem CID115066365
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine
SMILESCC(C)C1=NC2CCC(CN)CC2O1
InChIInChI=1S/C11H20N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h7-10H,3-6,12H2,1-2H3
InChIKeyNNPSQQISYUOTPV-UHFFFAOYSA-N
XLogP1.57
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066343
[2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066286
4-[[6-(aminomethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-yl]methyl]phenol
CID 115066458
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
(2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-yl)methanamine
CID 115065638
5-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
CID 140510356
3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ylmethanamine
CID 115065804
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
[4-(1-fluoroethyl)cyclohexyl]methanamine
CID 84764155
1-[4-(aminomethyl)cyclohexyl]propan-2-ol
CID 70069622

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine?
The IUPAC name of (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine (CID 115066365) is (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine?
The canonical SMILES for (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine is CC(C)C1=NC2CCC(CN)CC2O1.
What is the InChIKey of (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine?
The InChIKey is NNPSQQISYUOTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-7(2)11-13-9-4-3-8(6-12)5-10(9)14-11/h7-10H,3-6,12H2,1-2H3.
What are the key properties of (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine?
(2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine has a molecular weight of 196.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 115066365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).