1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine

C8H20N2O — CID 114396440

IUPAC1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine
SMILESCON(C)CCCC(C)(C)N
InChIInChI=1S/C8H20N2O/c1-8(2,9)6-5-7-10(3)11-4/h5-7,9H2,1-4H3
InChIKeyMUXYYHRPBNRTLN-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.00
Rot. Bonds5

About 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine

1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 114396440) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine
PubChem CID114396440
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine
SMILESCON(C)CCCC(C)(C)N
InChIInChI=1S/C8H20N2O/c1-8(2,9)6-5-7-10(3)11-4/h5-7,9H2,1-4H3
InChIKeyMUXYYHRPBNRTLN-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine (CID 114396440) is 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine is CON(C)CCCC(C)(C)N.
What is the InChIKey of 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is MUXYYHRPBNRTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,9)6-5-7-10(3)11-4/h5-7,9H2,1-4H3.
What are the key properties of 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine?
1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 160.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxy-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 114396440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).