1-ethoxy-N-methyltridecan-2-amine

C16H35NO — CID 105008040

IUPAC1-ethoxy-N-methyltridecan-2-amine
SMILESCCCCCCCCCCCC(COCC)NC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-11-12-13-14-16(17-3)15-18-5-2/h16-17H,4-15H2,1-3H3
InChIKeyGDFDFPTZCQNMEM-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds14

About 1-ethoxy-N-methyltridecan-2-amine

1-ethoxy-N-methyltridecan-2-amine (PubChem CID 105008040) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 1-ethoxy-N-methyltridecan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyltridecan-2-amine
PubChem CID105008040
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name1-ethoxy-N-methyltridecan-2-amine
SMILESCCCCCCCCCCCC(COCC)NC
InChIInChI=1S/C16H35NO/c1-4-6-7-8-9-10-11-12-13-14-16(17-3)15-18-5-2/h16-17H,4-15H2,1-3H3
InChIKeyGDFDFPTZCQNMEM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
N-methyl-1-propan-2-yloxyundecan-2-amine
CID 105013250
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methylundecan-4-amine
CID 60996531
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
N-methyl-1-methylsulfonyldodecan-2-amine
CID 55093567
3-(methylamino)nonan-1-ol
CID 65235222

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyltridecan-2-amine?
The IUPAC name of 1-ethoxy-N-methyltridecan-2-amine (CID 105008040) is 1-ethoxy-N-methyltridecan-2-amine.
What is the SMILES notation for 1-ethoxy-N-methyltridecan-2-amine?
The canonical SMILES for 1-ethoxy-N-methyltridecan-2-amine is CCCCCCCCCCCC(COCC)NC.
What is the InChIKey of 1-ethoxy-N-methyltridecan-2-amine?
The InChIKey is GDFDFPTZCQNMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-6-7-8-9-10-11-12-13-14-16(17-3)15-18-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-ethoxy-N-methyltridecan-2-amine?
1-ethoxy-N-methyltridecan-2-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyltridecan-2-amine is sourced from PubChem (CID 105008040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).