N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine

C13H27NO2 — CID 63685434

IUPACN-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
SMILESCCCOCCOC1(CNC)CCCCC1
InChIInChI=1S/C13H27NO2/c1-3-9-15-10-11-16-13(12-14-2)7-5-4-6-8-13/h14H,3-12H2,1-2H3
InChIKeyADSCNIADDKXPGW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

About N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine

N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine (PubChem CID 63685434) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
PubChem CID63685434
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
SMILESCCCOCCOC1(CNC)CCCCC1
InChIInChI=1S/C13H27NO2/c1-3-9-15-10-11-16-13(12-14-2)7-5-4-6-8-13/h14H,3-12H2,1-2H3
InChIKeyADSCNIADDKXPGW-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine (CID 63685434) is N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine is CCCOCCOC1(CNC)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine?
The InChIKey is ADSCNIADDKXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-9-15-10-11-16-13(12-14-2)7-5-4-6-8-13/h14H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine?
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 63685434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).