N,N'-diethylmethanediamine

C5H14N2 — CID 15191343

IUPACN,N'-diethylmethanediamine
SMILESCCNCNCC
InChIInChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRVDHYOWMCJBTCR-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.16
Rot. Bonds4

About N,N'-diethylmethanediamine

N,N'-diethylmethanediamine (PubChem CID 15191343) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is N,N'-diethylmethanediamine.

Molecular Properties

Compound NameN,N'-diethylmethanediamine
PubChem CID15191343
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC NameN,N'-diethylmethanediamine
SMILESCCNCNCC
InChIInChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3
InChIKeyRVDHYOWMCJBTCR-UHFFFAOYSA-N
XLogP0.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethylmethanediamine?
The IUPAC name of N,N'-diethylmethanediamine (CID 15191343) is N,N'-diethylmethanediamine.
What is the SMILES notation for N,N'-diethylmethanediamine?
The canonical SMILES for N,N'-diethylmethanediamine is CCNCNCC.
What is the InChIKey of N,N'-diethylmethanediamine?
The InChIKey is RVDHYOWMCJBTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-3-6-5-7-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of N,N'-diethylmethanediamine?
N,N'-diethylmethanediamine has a molecular weight of 102.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylmethanediamine is sourced from PubChem (CID 15191343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).