trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine

C9H19NO — CID 130341447

IUPACtrans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine
SMILESCOC[C@H]1CC[C@@H](C)CC1N
InChIInChI=1S/C9H19NO/c1-7-3-4-8(6-11-2)9(10)5-7/h7-9H,3-6,10H2,1-2H3/t7-,8-,9?/m1/s1
InChIKeyLUVAFULHMWPCEQ-ZAZKALAHSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds2

About trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine

trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine (PubChem CID 130341447) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine
PubChem CID130341447
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine
SMILESCOC[C@H]1CC[C@@H](C)CC1N
InChIInChI=1S/C9H19NO/c1-7-3-4-8(6-11-2)9(10)5-7/h7-9H,3-6,10H2,1-2H3/t7-,8-,9?/m1/s1
InChIKeyLUVAFULHMWPCEQ-ZAZKALAHSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine?
The IUPAC name of trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine (CID 130341447) is trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine?
The canonical SMILES for trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine is COC[C@H]1CC[C@@H](C)CC1N.
What is the InChIKey of trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine?
The InChIKey is LUVAFULHMWPCEQ-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-3-4-8(6-11-2)9(10)5-7/h7-9H,3-6,10H2,1-2H3/t7-,8-,9?/m1/s1.
What are the key properties of trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine?
trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-2-(methoxymethyl)-5-methylcyclohexan-1-amine is sourced from PubChem (CID 130341447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).