(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine

C9H19NO — CID 58208903

IUPAC(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine
SMILESCOC[C@H]1CC[C@H](N)[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-7-5-8(6-11-2)3-4-9(7)10/h7-9H,3-6,10H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyKNPWWUQLIAVAGO-VGMNWLOBSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds2

About (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine

(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine (PubChem CID 58208903) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine
PubChem CID58208903
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine
SMILESCOC[C@H]1CC[C@H](N)[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-7-5-8(6-11-2)3-4-9(7)10/h7-9H,3-6,10H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyKNPWWUQLIAVAGO-VGMNWLOBSA-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 (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine (CID 58208903) is (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine is COC[C@H]1CC[C@H](N)[C@H](C)C1.
What is the InChIKey of (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine?
The InChIKey is KNPWWUQLIAVAGO-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-5-8(6-11-2)3-4-9(7)10/h7-9H,3-6,10H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine?
(1S,2R,4S)-4-(methoxymethyl)-2-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 (1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 58208903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).