N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine

C16H33NO4 — CID 104565648

IUPACN-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCOCCOCCOC)CCCCC1
InChIInChI=1S/C16H33NO4/c1-3-17-15-16(7-5-4-6-8-16)21-14-13-20-12-11-19-10-9-18-2/h17H,3-15H2,1-2H3
InChIKeyBHPFMVTVYACVJS-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.00
Rot. Bonds13

About N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine

N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine (PubChem CID 104565648) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
PubChem CID104565648
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC NameN-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCOCCOCCOC)CCCCC1
InChIInChI=1S/C16H33NO4/c1-3-17-15-16(7-5-4-6-8-16)21-14-13-20-12-11-19-10-9-18-2/h17H,3-15H2,1-2H3
InChIKeyBHPFMVTVYACVJS-UHFFFAOYSA-N
XLogP2.00
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-methoxyethoxy)ethoxy]cycloheptyl]-N-methylmethanamine
CID 104565674
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-[1-(2-methoxyethoxy)cyclopentyl]-N-methylmethanamine
CID 62108671
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-ethyl-2-[1-[2-(3-methoxypropoxy)ethoxy]cyclobutyl]ethanamine
CID 103274564
N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
N-[[1-(2-propoxyethoxy)cyclohexyl]methyl]propan-2-amine
CID 63686546
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine (CID 104565648) is N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine is CCNCC1(OCCOCCOCCOC)CCCCC1.
What is the InChIKey of N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine?
The InChIKey is BHPFMVTVYACVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-3-17-15-16(7-5-4-6-8-16)21-14-13-20-12-11-19-10-9-18-2/h17H,3-15H2,1-2H3.
What are the key properties of N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine?
N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine has a molecular weight of 303.44 g/mol, XLogP of 2.00, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 104565648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).