(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine

C10H20N2O — CID 166905468

IUPAC(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)(C)OCN1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)13-6-12-4-7-8(5-12)9(7)11/h7-9H,4-6,11H2,1-3H3/t7-,8+,9?
InChIKeyNJPUAFBSTJLGTF-JVHMLUBASA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds2

About (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 166905468) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID166905468
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)(C)OCN1C[C@@H]2C(N)[C@@H]2C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)13-6-12-4-7-8(5-12)9(7)11/h7-9H,4-6,11H2,1-3H3/t7-,8+,9?
InChIKeyNJPUAFBSTJLGTF-JVHMLUBASA-N
XLogP0.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine 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

1,4-bis[(2-methylpropan-2-yl)oxymethyl]piperazine
CID 164817435
1-[(2-methylpropan-2-yl)oxymethyl]azetidine-3-carbaldehyde
CID 90788429
tert-butyl (1R,5S)-6-[[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]methoxy]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 139483180
4-(2-bromoethyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 123168061
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-2-azaspiro[3.3]heptane
CID 145221794
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CID 112590949
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814
1-[(2-methylpropan-2-yl)oxymethyl]-3-prop-2-enoxypyrrolidine
CID 139372320
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-propylazetidine
CID 146606048
(1S,5R)-3-bromo-3-azabicyclo[3.1.0]hexan-6-amine
CID 89020736

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine (CID 166905468) is (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine is CC(C)(C)OCN1C[C@@H]2C(N)[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is NJPUAFBSTJLGTF-JVHMLUBASA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)13-6-12-4-7-8(5-12)9(7)11/h7-9H,4-6,11H2,1-3H3/t7-,8+,9?.
What are the key properties of (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 184.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(2-methylpropan-2-yl)oxymethyl]-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 166905468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).