N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine

C17H35NO3 — CID 103180350

IUPACN-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCOCCCOC)CCC(CC)CC1
InChIInChI=1S/C17H35NO3/c1-4-16-7-9-17(10-8-16,15-18-5-2)21-14-13-20-12-6-11-19-3/h16,18H,4-15H2,1-3H3
InChIKeyNTLDJWQQKILBKG-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.00
Rot. Bonds12

About N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine

N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine (PubChem CID 103180350) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
PubChem CID103180350
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC NameN-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCOCCCOC)CCC(CC)CC1
InChIInChI=1S/C17H35NO3/c1-4-16-7-9-17(10-8-16,15-18-5-2)21-14-13-20-12-6-11-19-3/h16,18H,4-15H2,1-3H3
InChIKeyNTLDJWQQKILBKG-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.00
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-[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
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
N-[(1-butoxy-4-ethylcyclohexyl)methyl]propan-1-amine
CID 63473884
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine (CID 103180350) is N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine is CCNCC1(OCCOCCCOC)CCC(CC)CC1.
What is the InChIKey of N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine?
The InChIKey is NTLDJWQQKILBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-4-16-7-9-17(10-8-16,15-18-5-2)21-14-13-20-12-6-11-19-3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine?
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine has a molecular weight of 301.47 g/mol, XLogP of 3.00, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 103180350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).