4-methoxy-N-methyldecan-5-amine

C12H27NO — CID 116718740

IUPAC4-methoxy-N-methyldecan-5-amine
SMILESCCCCCC(NC)C(CCC)OC
InChIInChI=1S/C12H27NO/c1-5-7-8-10-11(13-3)12(14-4)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyFRTRTHUYQCQHCI-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About 4-methoxy-N-methyldecan-5-amine

4-methoxy-N-methyldecan-5-amine (PubChem CID 116718740) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-methoxy-N-methyldecan-5-amine.

Molecular Properties

Compound Name4-methoxy-N-methyldecan-5-amine
PubChem CID116718740
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-methoxy-N-methyldecan-5-amine
SMILESCCCCCC(NC)C(CCC)OC
InChIInChI=1S/C12H27NO/c1-5-7-8-10-11(13-3)12(14-4)9-6-2/h11-13H,5-10H2,1-4H3
InChIKeyFRTRTHUYQCQHCI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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

4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
4-methoxy-N-methyldodec-11-en-5-amine
CID 107009691
N-ethyl-4-methoxyundecan-5-amine
CID 116719102
N-ethyl-4-methoxydodecan-5-amine
CID 116719103
N-ethyl-3-methoxynonan-4-amine
CID 116715626
3-ethyl-N-methylnonan-4-amine
CID 115837459
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
3-(methylamino)octan-2-ol
CID 166770320
2-methoxynonane-1,1-diol
CID 175114695
4-ethoxydodecan-5-ylhydrazine
CID 105271332
2-ethoxy-3-methoxynonane
CID 175129428

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyldecan-5-amine?
The IUPAC name of 4-methoxy-N-methyldecan-5-amine (CID 116718740) is 4-methoxy-N-methyldecan-5-amine.
What is the SMILES notation for 4-methoxy-N-methyldecan-5-amine?
The canonical SMILES for 4-methoxy-N-methyldecan-5-amine is CCCCCC(NC)C(CCC)OC.
What is the InChIKey of 4-methoxy-N-methyldecan-5-amine?
The InChIKey is FRTRTHUYQCQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-10-11(13-3)12(14-4)9-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-N-methyldecan-5-amine?
4-methoxy-N-methyldecan-5-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyldecan-5-amine is sourced from PubChem (CID 116718740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).