1-(2-methoxyethylamino)-3-methyltridecan-3-ol

C17H37NO2 — CID 66003679

IUPAC1-(2-methoxyethylamino)-3-methyltridecan-3-ol
SMILESCCCCCCCCCCC(C)(O)CCNCCOC
InChIInChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-17(2,19)13-14-18-15-16-20-3/h18-19H,4-16H2,1-3H3
InChIKeyDDIWEMPNYYYHHH-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.89
Rot. Bonds15

About 1-(2-methoxyethylamino)-3-methyltridecan-3-ol

1-(2-methoxyethylamino)-3-methyltridecan-3-ol (PubChem CID 66003679) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-methyltridecan-3-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-methyltridecan-3-ol
PubChem CID66003679
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-(2-methoxyethylamino)-3-methyltridecan-3-ol
SMILESCCCCCCCCCCC(C)(O)CCNCCOC
InChIInChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-17(2,19)13-14-18-15-16-20-3/h18-19H,4-16H2,1-3H3
InChIKeyDDIWEMPNYYYHHH-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethylsulfonyl-1-(2-methoxyethylamino)-3-methylhexan-3-ol
CID 66001894
13-methylheptacosan-13-ol
CID 87343529
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
N-(2-methoxyethyl)-2,2-dimethylhexan-1-amine
CID 62726160
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
4,7-dimethylpentadecane-4,7-diol
CID 89335583
tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid
CID 173173629
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylheptan-1-amine
CID 103179208

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-methyltridecan-3-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-methyltridecan-3-ol (CID 66003679) is 1-(2-methoxyethylamino)-3-methyltridecan-3-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-methyltridecan-3-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-methyltridecan-3-ol is CCCCCCCCCCC(C)(O)CCNCCOC.
What is the InChIKey of 1-(2-methoxyethylamino)-3-methyltridecan-3-ol?
The InChIKey is DDIWEMPNYYYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-17(2,19)13-14-18-15-16-20-3/h18-19H,4-16H2,1-3H3.
What are the key properties of 1-(2-methoxyethylamino)-3-methyltridecan-3-ol?
1-(2-methoxyethylamino)-3-methyltridecan-3-ol has a molecular weight of 287.49 g/mol, XLogP of 3.89, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-methyltridecan-3-ol is sourced from PubChem (CID 66003679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).