1-methoxy-N-methyl-5-propoxypentan-2-amine

C10H23NO2 — CID 106454502

IUPAC1-methoxy-N-methyl-5-propoxypentan-2-amine
SMILESCCCOCCCC(COC)NC
InChIInChI=1S/C10H23NO2/c1-4-7-13-8-5-6-10(11-2)9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyVNXHXWRZGSOVID-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds9

About 1-methoxy-N-methyl-5-propoxypentan-2-amine

1-methoxy-N-methyl-5-propoxypentan-2-amine (PubChem CID 106454502) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-methoxy-N-methyl-5-propoxypentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-5-propoxypentan-2-amine
PubChem CID106454502
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-methoxy-N-methyl-5-propoxypentan-2-amine
SMILESCCCOCCCC(COC)NC
InChIInChI=1S/C10H23NO2/c1-4-7-13-8-5-6-10(11-2)9-12-3/h10-11H,4-9H2,1-3H3
InChIKeyVNXHXWRZGSOVID-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
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

(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
6-ethoxy-1-methoxy-N-methylhexan-2-amine
CID 65180928
1-methoxy-N-methyl-3-(2-propoxyethoxy)propan-2-amine
CID 107506859
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
6-butoxy-N-methylhexan-3-amine
CID 61483969
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
1-hexoxy-3-methoxy-N-methylpropan-2-amine
CID 107506726
N-methyl-6-octoxyhexan-3-amine
CID 106800853
1-methoxy-5-propoxypentan-2-ol
CID 106455960
5-methoxy-N-methyl-1-propoxyhexan-2-amine
CID 105165354
N-methyl-1-[4-(methylamino)butoxy]pentan-2-amine
CID 88915245

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-5-propoxypentan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-5-propoxypentan-2-amine (CID 106454502) is 1-methoxy-N-methyl-5-propoxypentan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-5-propoxypentan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-5-propoxypentan-2-amine is CCCOCCCC(COC)NC.
What is the InChIKey of 1-methoxy-N-methyl-5-propoxypentan-2-amine?
The InChIKey is VNXHXWRZGSOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-7-13-8-5-6-10(11-2)9-12-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-5-propoxypentan-2-amine?
1-methoxy-N-methyl-5-propoxypentan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-5-propoxypentan-2-amine is sourced from PubChem (CID 106454502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).