N-(cyclohexylmethyl)-2-methoxyethanamine

C10H21NO — CID 17158410

IUPACN-(cyclohexylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1CCCCC1
InChIInChI=1S/C10H21NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyMKNLLYMCSPXYQB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclohexylmethyl)-2-methoxyethanamine

N-(cyclohexylmethyl)-2-methoxyethanamine (PubChem CID 17158410) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methoxyethanamine
PubChem CID17158410
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(cyclohexylmethyl)-2-methoxyethanamine
SMILESCOCCNCC1CCCCC1
InChIInChI=1S/C10H21NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyMKNLLYMCSPXYQB-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-methoxyethanamine (CID 17158410) is N-(cyclohexylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methoxyethanamine is COCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methoxyethanamine?
The InChIKey is MKNLLYMCSPXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-methoxyethanamine?
N-(cyclohexylmethyl)-2-methoxyethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 17158410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).