N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine

C11H23NO — CID 62444338

IUPACN-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
SMILESCNCCCOC1CCCCC1C
InChIInChI=1S/C11H23NO/c1-10-6-3-4-7-11(10)13-9-5-8-12-2/h10-12H,3-9H2,1-2H3
InChIKeyYBMOHMGQKSVGMW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds5

About N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine

N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine (PubChem CID 62444338) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
PubChem CID62444338
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
SMILESCNCCCOC1CCCCC1C
InChIInChI=1S/C11H23NO/c1-10-6-3-4-7-11(10)13-9-5-8-12-2/h10-12H,3-9H2,1-2H3
InChIKeyYBMOHMGQKSVGMW-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine?
The IUPAC name of N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine (CID 62444338) is N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine is CNCCCOC1CCCCC1C.
What is the InChIKey of N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine?
The InChIKey is YBMOHMGQKSVGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-6-3-4-7-11(10)13-9-5-8-12-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine?
N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 62444338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).