N,3-diethyl-3-methoxytridecan-4-amine

C18H39NO — CID 116761089

IUPACN,3-diethyl-3-methoxytridecan-4-amine
SMILESCCCCCCCCCC(NCC)C(CC)(CC)OC
InChIInChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-5/h17,19H,6-16H2,1-5H3
InChIKeyRRWLNXSNGVRCGY-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds14

About N,3-diethyl-3-methoxytridecan-4-amine

N,3-diethyl-3-methoxytridecan-4-amine (PubChem CID 116761089) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N,3-diethyl-3-methoxytridecan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-3-methoxytridecan-4-amine
PubChem CID116761089
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN,3-diethyl-3-methoxytridecan-4-amine
SMILESCCCCCCCCCC(NCC)C(CC)(CC)OC
InChIInChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-5/h17,19H,6-16H2,1-5H3
InChIKeyRRWLNXSNGVRCGY-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
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

(3-ethyl-3-methoxytetradecan-4-yl)hydrazine
CID 105275563
N-ethyl-1,1,1-trifluoroheptan-2-amine
CID 66204149
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
CID 151565444
2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyl-4-methoxyundecan-5-amine
CID 116719102
N-ethyl-4-methoxydodecan-5-amine
CID 116719103
3-ethyl-3-methoxy-7-methyl-N-propyloctan-4-amine
CID 116761328

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-3-methoxytridecan-4-amine?
The IUPAC name of N,3-diethyl-3-methoxytridecan-4-amine (CID 116761089) is N,3-diethyl-3-methoxytridecan-4-amine.
What is the SMILES notation for N,3-diethyl-3-methoxytridecan-4-amine?
The canonical SMILES for N,3-diethyl-3-methoxytridecan-4-amine is CCCCCCCCCC(NCC)C(CC)(CC)OC.
What is the InChIKey of N,3-diethyl-3-methoxytridecan-4-amine?
The InChIKey is RRWLNXSNGVRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-6-10-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-5/h17,19H,6-16H2,1-5H3.
What are the key properties of N,3-diethyl-3-methoxytridecan-4-amine?
N,3-diethyl-3-methoxytridecan-4-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-3-methoxytridecan-4-amine is sourced from PubChem (CID 116761089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).