trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine

C9H19NO — CID 91705270

IUPACtrans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine
SMILESCO[C@H]1CCC[C@H](N(C)C)C1
InChIInChI=1S/C9H19NO/c1-10(2)8-5-4-6-9(7-8)11-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyDANAVRAIEQLWDF-IUCAKERBSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds2

About trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine

trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine (PubChem CID 91705270) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine
PubChem CID91705270
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine
SMILESCO[C@H]1CCC[C@H](N(C)C)C1
InChIInChI=1S/C9H19NO/c1-10(2)8-5-4-6-9(7-8)11-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyDANAVRAIEQLWDF-IUCAKERBSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine (CID 91705270) is trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine is CO[C@H]1CCC[C@H](N(C)C)C1.
What is the InChIKey of trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine?
The InChIKey is DANAVRAIEQLWDF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-10(2)8-5-4-6-9(7-8)11-3/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine?
trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methoxy-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 91705270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).