N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine

C16H31NO3 — CID 103180407

IUPACN-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
SMILESCOCCCOCCOC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H31NO3/c1-18-10-5-11-19-12-13-20-16(8-3-2-4-9-16)14-17-15-6-7-15/h15,17H,2-14H2,1H3
InChIKeyGUQZBGQGVFWECI-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.51
Rot. Bonds11

About N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine

N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine (PubChem CID 103180407) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
PubChem CID103180407
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC NameN-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
SMILESCOCCCOCCOC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H31NO3/c1-18-10-5-11-19-12-13-20-16(8-3-2-4-9-16)14-17-15-6-7-15/h15,17H,2-14H2,1H3
InChIKeyGUQZBGQGVFWECI-UHFFFAOYSA-N
XLogP2.51
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
CID 104565648
N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
CID 55036627
1-[1-[2-(3-methoxypropoxy)ethoxy]-4-methylcyclohexyl]-N-methylmethanamine
CID 103180422

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine (CID 103180407) is N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine is COCCCOCCOC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is GUQZBGQGVFWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-18-10-5-11-19-12-13-20-16(8-3-2-4-9-16)14-17-15-6-7-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 2.51, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 103180407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).