N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine

C15H29NO2 — CID 55036627

IUPACN-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OCCOC)CC1
InChIInChI=1S/C15H29NO2/c1-3-13-6-8-15(9-7-13,18-11-10-17-2)12-16-14-4-5-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHMYSGQTVWRLCGD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds8

About N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine

N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 55036627) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID55036627
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OCCOC)CC1
InChIInChI=1S/C15H29NO2/c1-3-13-6-8-15(9-7-13,18-11-10-17-2)12-16-14-4-5-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHMYSGQTVWRLCGD-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
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-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111094
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-ethoxy-4-propylcyclohexyl)methyl]cyclopropanamine
CID 62107994
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine (CID 55036627) is N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)(OCCOC)CC1.
What is the InChIKey of N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HMYSGQTVWRLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-13-6-8-15(9-7-13,18-11-10-17-2)12-16-14-4-5-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-(2-methoxyethoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 55036627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).