5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine

C8H20N2O — CID 81101856

IUPAC5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C
InChIInChI=1S/C8H20N2O/c1-10(2)7-8(9)5-4-6-11-3/h8H,4-7,9H2,1-3H3
InChIKeyVARRLYOTVWEFRF-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds6

About 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine

5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine (PubChem CID 81101856) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
PubChem CID81101856
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)C
InChIInChI=1S/C8H20N2O/c1-10(2)7-8(9)5-4-6-11-3/h8H,4-7,9H2,1-3H3
InChIKeyVARRLYOTVWEFRF-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine (CID 81101856) is 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine is COCCCC(N)CN(C)C.
What is the InChIKey of 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine?
The InChIKey is VARRLYOTVWEFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-10(2)7-8(9)5-4-6-11-3/h8H,4-7,9H2,1-3H3.
What are the key properties of 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine?
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 81101856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).