(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine

C11H23NO — CID 131031779

IUPAC(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCO[C@H]1C[C@H](C(C)C)CC[C@]1(C)N
InChIInChI=1S/C11H23NO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h8-10H,5-7,12H2,1-4H3/t9-,10+,11+/m1/s1
InChIKeyAGWIHCCNYNLUDE-VWYCJHECSA-N
MW185.31 g/mol
LogP2.17
Rot. Bonds2

About (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine

(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 131031779) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID131031779
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCO[C@H]1C[C@H](C(C)C)CC[C@]1(C)N
InChIInChI=1S/C11H23NO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h8-10H,5-7,12H2,1-4H3/t9-,10+,11+/m1/s1
InChIKeyAGWIHCCNYNLUDE-VWYCJHECSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S,4S)-2-methoxy-1-methyl-4-propan-2-ylcyclohexyl]propan-2-one
CID 102493096
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
(2-hydroperoxy-1-methyl-4-propan-2-ylcyclohexyl)benzene
CID 88847490
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
CID 54292427
(1S,4S,6R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
CID 91751113
(4R)-7,7-dibromo-1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 14607137
bis(1-methyl-4-propan-2-ylcyclohexyl) 2-methylpropanedioate
CID 154133778
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine (CID 131031779) is (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine is CO[C@H]1C[C@H](C(C)C)CC[C@]1(C)N.
What is the InChIKey of (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is AGWIHCCNYNLUDE-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)9-5-6-11(3,12)10(7-9)13-4/h8-10H,5-7,12H2,1-4H3/t9-,10+,11+/m1/s1.
What are the key properties of (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine?
(1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-methoxy-1-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 131031779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).