cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine

C9H19NO — CID 90063127

IUPACcis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine
SMILESCO[C@@H]1C[C@H](N)CC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-9(2)5-7(10)4-8(6-9)11-3/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1
InChIKeyTUJCNJGOSXWYJR-JGVFFNPUSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine

cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine (PubChem CID 90063127) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine
PubChem CID90063127
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namecis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine
SMILESCO[C@@H]1C[C@H](N)CC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-9(2)5-7(10)4-8(6-9)11-3/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1
InChIKeyTUJCNJGOSXWYJR-JGVFFNPUSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine (CID 90063127) is cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine is CO[C@@H]1C[C@H](N)CC(C)(C)C1.
What is the InChIKey of cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine?
The InChIKey is TUJCNJGOSXWYJR-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)5-7(10)4-8(6-9)11-3/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine?
cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,5S)-5-methoxy-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 90063127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).