N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine

C18H37NO2 — CID 106449156

IUPACN-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOCC(C)C)CCC(CC)CC1
InChIInChI=1S/C18H37NO2/c1-5-11-19-15-18(9-7-17(6-2)8-10-18)21-13-12-20-14-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyJTJWIASKULDZNL-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.01
Rot. Bonds11

About N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine

N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine (PubChem CID 106449156) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
PubChem CID106449156
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCOCC(C)C)CCC(CC)CC1
InChIInChI=1S/C18H37NO2/c1-5-11-19-15-18(9-7-17(6-2)8-10-18)21-13-12-20-14-16(3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyJTJWIASKULDZNL-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-ethyl-1-(4-methylpentoxy)cyclohexyl]methyl]propan-1-amine
CID 63475716
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[4-methyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-2-amine
CID 106449180
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine (CID 106449156) is N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine is CCCNCC1(OCCOCC(C)C)CCC(CC)CC1.
What is the InChIKey of N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine?
The InChIKey is JTJWIASKULDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-5-11-19-15-18(9-7-17(6-2)8-10-18)21-13-12-20-14-16(3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine?
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.01, 11 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-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 106449156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).