1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine

C12H27NO3 — CID 115712453

IUPAC1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
SMILESCCCCC(COC)NCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-5-6-12(11-15-3)13-7-8-16-10-9-14-2/h12-13H,4-11H2,1-3H3
InChIKeyZFYYKSAAMWEBBE-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.44
Rot. Bonds12

About 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine

1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine (PubChem CID 115712453) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
PubChem CID115712453
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
SMILESCCCCC(COC)NCCOCCOC
InChIInChI=1S/C12H27NO3/c1-4-5-6-12(11-15-3)13-7-8-16-10-9-14-2/h12-13H,4-11H2,1-3H3
InChIKeyZFYYKSAAMWEBBE-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.44
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

2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
5-methoxy-4-N-[2-(2-methoxyethoxy)ethyl]pentane-1,4-diamine
CID 103389661
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
tert-butyl N-[4-(2-butoxyethylamino)-5-methoxypentyl]carbamate
CID 103389448
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
3-(1-methoxyhexan-2-ylamino)-N-methylpropanamide
CID 115712706
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529
1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
CID 115720755
3-(1-methoxyhexan-2-ylamino)-N,N-dimethylpropanamide
CID 115715312

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine (CID 115712453) is 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine is CCCCC(COC)NCCOCCOC.
What is the InChIKey of 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine?
The InChIKey is ZFYYKSAAMWEBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-4-5-6-12(11-15-3)13-7-8-16-10-9-14-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine?
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 115712453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).