N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine

C14H29NO2 — CID 62106730

IUPACN-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCOCCOC1(CNC(C)C)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-11-14(17-10-9-16-4)7-5-13(3)6-8-14/h12-13,15H,5-11H2,1-4H3
InChIKeyLZYJEQLWNMFJLU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds7

About N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 62106730) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID62106730
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCOCCOC1(CNC(C)C)CCC(C)CC1
InChIInChI=1S/C14H29NO2/c1-12(2)15-11-14(17-10-9-16-4)7-5-13(3)6-8-14/h12-13,15H,5-11H2,1-4H3
InChIKeyLZYJEQLWNMFJLU-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
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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Related Compounds

N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[1-(2,2-difluoroethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 82007335
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
CID 62108572
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
CID 103180422
N-[[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methyl]propan-2-amine
CID 63475880
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine (CID 62106730) is N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine is COCCOC1(CNC(C)C)CCC(C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is LZYJEQLWNMFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)15-11-14(17-10-9-16-4)7-5-13(3)6-8-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62106730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).