5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine

C14H31NO2 — CID 103035628

IUPAC5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCCC
InChIInChI=1S/C14H31NO2/c1-6-10-15-13(12-17-11-7-2)8-9-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyBJSFSQLGCFRVGD-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds11

About 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine

5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine (PubChem CID 103035628) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
PubChem CID103035628
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)COCCC
InChIInChI=1S/C14H31NO2/c1-6-10-15-13(12-17-11-7-2)8-9-14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyBJSFSQLGCFRVGD-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031120
4-ethoxy-1-propoxy-N-propylbutan-2-amine
CID 112688262
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
4-(2-propoxyethoxy)-3-(propylamino)butan-1-ol
CID 64898660
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
3-propoxy-2-(propylamino)propan-1-ol
CID 64808128
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439
1-(4-fluorophenyl)sulfanyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103035770
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
3-(3,3-dimethylbutoxy)-2-(propylamino)propan-1-ol
CID 66227333

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine (CID 103035628) is 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)COCCC.
What is the InChIKey of 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine?
The InChIKey is BJSFSQLGCFRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-6-10-15-13(12-17-11-7-2)8-9-14(3,4)16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine?
5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-propoxy-N-propylhexan-2-amine is sourced from PubChem (CID 103035628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).