N',N'-diethylmethanediamine

C5H14N2 — CID 18512508

IUPACN',N'-diethylmethanediamine
SMILESCCN(CC)CN
InChIInChI=1S/C5H14N2/c1-3-7(4-2)5-6/h3-6H2,1-2H3
InChIKeySLBGBYOQCVAHBC-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.24
Rot. Bonds3

About N',N'-diethylmethanediamine

N',N'-diethylmethanediamine (PubChem CID 18512508) 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 CID18512508
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC NameN',N'-diethylmethanediamine
SMILESCCN(CC)CN
InChIInChI=1S/C5H14N2/c1-3-7(4-2)5-6/h3-6H2,1-2H3
InChIKeySLBGBYOQCVAHBC-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 18512508) is N',N'-diethylmethanediamine.
What is the SMILES notation for N',N'-diethylmethanediamine?
The canonical SMILES for N',N'-diethylmethanediamine is CCN(CC)CN.
What is the InChIKey of N',N'-diethylmethanediamine?
The InChIKey is SLBGBYOQCVAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-3-7(4-2)5-6/h3-6H2,1-2H3.
What are the key properties of N',N'-diethylmethanediamine?
N',N'-diethylmethanediamine has a molecular weight of 102.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 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 18512508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).