N,N,2-triethyl-2-(methoxymethyl)decan-1-amine

C18H39NO — CID 139968832

IUPACN,N,2-triethyl-2-(methoxymethyl)decan-1-amine
SMILESCCCCCCCCC(CC)(COC)CN(CC)CC
InChIInChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-18(7-2,17-20-5)16-19(8-3)9-4/h6-17H2,1-5H3
InChIKeyXRNPTHAFQGSDDE-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.12
Rot. Bonds14

About N,N,2-triethyl-2-(methoxymethyl)decan-1-amine

N,N,2-triethyl-2-(methoxymethyl)decan-1-amine (PubChem CID 139968832) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N,N,2-triethyl-2-(methoxymethyl)decan-1-amine.

Molecular Properties

Compound NameN,N,2-triethyl-2-(methoxymethyl)decan-1-amine
PubChem CID139968832
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN,N,2-triethyl-2-(methoxymethyl)decan-1-amine
SMILESCCCCCCCCC(CC)(COC)CN(CC)CC
InChIInChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-18(7-2,17-20-5)16-19(8-3)9-4/h6-17H2,1-5H3
InChIKeyXRNPTHAFQGSDDE-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
7-butyl-7-ethyltetradecane
CID 174665936
2-(methoxymethyl)-N-methyl-2-propyldecan-1-amine
CID 139968871
3,3-bis(bromomethyl)pentadecane
CID 79455553
3,3-bis(ethenoxymethyl)tetradecane
CID 134531183
9,9-dioctyloctadecane
CID 19690418
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
8-hexyl-8-pentylhexadecane
CID 521602
2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
CID 139968873
1,2,2-trimethoxyundecane
CID 151416745
10,10-dibutylicosane
CID 151498539

Frequently Asked Questions

What is the IUPAC name of N,N,2-triethyl-2-(methoxymethyl)decan-1-amine?
The IUPAC name of N,N,2-triethyl-2-(methoxymethyl)decan-1-amine (CID 139968832) is N,N,2-triethyl-2-(methoxymethyl)decan-1-amine.
What is the SMILES notation for N,N,2-triethyl-2-(methoxymethyl)decan-1-amine?
The canonical SMILES for N,N,2-triethyl-2-(methoxymethyl)decan-1-amine is CCCCCCCCC(CC)(COC)CN(CC)CC.
What is the InChIKey of N,N,2-triethyl-2-(methoxymethyl)decan-1-amine?
The InChIKey is XRNPTHAFQGSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-18(7-2,17-20-5)16-19(8-3)9-4/h6-17H2,1-5H3.
What are the key properties of N,N,2-triethyl-2-(methoxymethyl)decan-1-amine?
N,N,2-triethyl-2-(methoxymethyl)decan-1-amine has a molecular weight of 285.52 g/mol, XLogP of 5.12, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triethyl-2-(methoxymethyl)decan-1-amine is sourced from PubChem (CID 139968832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).