2-methoxy-2-methyl-N-propyldecan-3-amine

C15H33NO — CID 79198158

IUPAC2-methoxy-2-methyl-N-propyldecan-3-amine
SMILESCCCCCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C15H33NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h14,16H,6-13H2,1-5H3
InChIKeyQTXSAPLCVHBKBP-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds11

About 2-methoxy-2-methyl-N-propyldecan-3-amine

2-methoxy-2-methyl-N-propyldecan-3-amine (PubChem CID 79198158) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyldecan-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyldecan-3-amine
PubChem CID79198158
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-methoxy-2-methyl-N-propyldecan-3-amine
SMILESCCCCCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C15H33NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h14,16H,6-13H2,1-5H3
InChIKeyQTXSAPLCVHBKBP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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

2-methoxy-2-methyl-N-propyldec-9-en-3-amine
CID 107009419
3-methoxy-3-methyl-N-propyldecan-4-amine
CID 116758213
3-methoxy-3-methyl-N-propyldodecan-4-amine
CID 116758147
7,7,7-trifluoro-2-methoxy-2-methyl-N-propylheptan-3-amine
CID 113327134
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
2-methoxy-2,5-dimethyl-N-propyloctan-3-amine
CID 79198397
2-methoxy-2-methyl-N-propylundecan-4-amine
CID 103025043
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-propyldecan-3-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyldecan-3-amine (CID 79198158) is 2-methoxy-2-methyl-N-propyldecan-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyldecan-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyldecan-3-amine is CCCCCCCC(NCCC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyldecan-3-amine?
The InChIKey is QTXSAPLCVHBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-8-9-10-11-12-14(16-13-7-2)15(3,4)17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyldecan-3-amine?
2-methoxy-2-methyl-N-propyldecan-3-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyldecan-3-amine is sourced from PubChem (CID 79198158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).