N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine

C9H19NO — CID 124574787

IUPACN-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
SMILESCONC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-8-4-3-5-9(6-8)7-10-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyDSLUTXRJUCVRJH-IUCAKERBSA-N
MW157.26 g/mol
LogP1.96
Rot. Bonds3

About N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine

N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine (PubChem CID 124574787) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
PubChem CID124574787
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
SMILESCONC[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C9H19NO/c1-8-4-3-5-9(6-8)7-10-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyDSLUTXRJUCVRJH-IUCAKERBSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-methoxymethanamine
CID 54238767
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 104589902
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
2-methoxy-N-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 103883979
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 103702732
1-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine?
The IUPAC name of N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine (CID 124574787) is N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine?
The canonical SMILES for N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine is CONC[C@H]1CCC[C@H](C)C1.
What is the InChIKey of N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine?
The InChIKey is DSLUTXRJUCVRJH-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-4-3-5-9(6-8)7-10-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine?
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 124574787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).