1,2-dimethoxypropan-1-amine

C5H13NO2 — CID 23227937

IUPAC1,2-dimethoxypropan-1-amine
SMILESCOC(C)C(N)OC
InChIInChI=1S/C5H13NO2/c1-4(7-2)5(6)8-3/h4-5H,6H2,1-3H3
InChIKeySDJFQUSRCOKJKL-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.05
Rot. Bonds3

About 1,2-dimethoxypropan-1-amine

1,2-dimethoxypropan-1-amine (PubChem CID 23227937) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 1,2-dimethoxypropan-1-amine.

Molecular Properties

Compound Name1,2-dimethoxypropan-1-amine
PubChem CID23227937
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name1,2-dimethoxypropan-1-amine
SMILESCOC(C)C(N)OC
InChIInChI=1S/C5H13NO2/c1-4(7-2)5(6)8-3/h4-5H,6H2,1-3H3
InChIKeySDJFQUSRCOKJKL-UHFFFAOYSA-N
XLogP-0.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxyethanamine
CID 19353429
(2S)-1-methoxy-4-methylpentane-1,2-diamine
CID 166706946
2,3,4-trimethoxypentane
CID 20754115
3-amino-4-methoxypentan-2-one
CID 58914399
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
2-iodo-1-methoxy-3-(1-methoxyethyl)-5-methylhexane-1,6-diamine
CID 139383075
2-methoxypropane-1,1-dithiol
CID 57186055
2-chloro-3-methoxybutane
CID 23424437
amino(trimethoxy)phosphanium
CID 87744644
2-methoxy-3,4,5-trimethylhexane
CID 123147502
2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
CID 87233502
1,1,3-trimethoxy-2-methylbutane
CID 11275184

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxypropan-1-amine?
The IUPAC name of 1,2-dimethoxypropan-1-amine (CID 23227937) is 1,2-dimethoxypropan-1-amine.
What is the SMILES notation for 1,2-dimethoxypropan-1-amine?
The canonical SMILES for 1,2-dimethoxypropan-1-amine is COC(C)C(N)OC.
What is the InChIKey of 1,2-dimethoxypropan-1-amine?
The InChIKey is SDJFQUSRCOKJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-4(7-2)5(6)8-3/h4-5H,6H2,1-3H3.
What are the key properties of 1,2-dimethoxypropan-1-amine?
1,2-dimethoxypropan-1-amine has a molecular weight of 119.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxypropan-1-amine is sourced from PubChem (CID 23227937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).