(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine

C12H23NO — CID 171769926

IUPAC(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine
SMILESCC(C)OC[C@@]12C[C@@H]1CC[C@H]2N(C)C
InChIInChI=1S/C12H23NO/c1-9(2)14-8-12-7-10(12)5-6-11(12)13(3)4/h9-11H,5-8H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyZGVOPKLHCUUOFP-TUAOUCFPSA-N
MW197.32 g/mol
LogP2.14
Rot. Bonds4

About (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine

(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine (PubChem CID 171769926) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine
PubChem CID171769926
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine
SMILESCC(C)OC[C@@]12C[C@@H]1CC[C@H]2N(C)C
InChIInChI=1S/C12H23NO/c1-9(2)14-8-12-7-10(12)5-6-11(12)13(3)4/h9-11H,5-8H2,1-4H3/t10-,11+,12-/m0/s1
InChIKeyZGVOPKLHCUUOFP-TUAOUCFPSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine with MolForge

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Related Compounds

1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 170521217
3-methyl-1-(propan-2-yloxymethyl)cyclopentan-1-ol
CID 79568095
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 157114602
2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 79568097
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
1-[(1S)-2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 177330683
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
2-ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 168942620
2-methyl-1-(propan-2-yloxymethyl)-2-azabicyclo[3.2.0]heptane
CID 177126114
1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine (CID 171769926) is (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine is CC(C)OC[C@@]12C[C@@H]1CC[C@H]2N(C)C.
What is the InChIKey of (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine?
The InChIKey is ZGVOPKLHCUUOFP-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)14-8-12-7-10(12)5-6-11(12)13(3)4/h9-11H,5-8H2,1-4H3/t10-,11+,12-/m0/s1.
What are the key properties of (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine?
(1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-N,N-dimethyl-1-(propan-2-yloxymethyl)bicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 171769926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).