N-amino-N-(diethylamino)methanamine

C5H15N3 — CID 54402100

IUPACN-amino-N-(diethylamino)methanamine
SMILESCCN(CC)N(C)N
InChIInChI=1S/C5H15N3/c1-4-8(5-2)7(3)6/h4-6H2,1-3H3
InChIKeyVODLDDJYKRWICZ-UHFFFAOYSA-N
MW117.20 g/mol
LogP0.05
Rot. Bonds3

About N-amino-N-(diethylamino)methanamine

N-amino-N-(diethylamino)methanamine (PubChem CID 54402100) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is N-amino-N-(diethylamino)methanamine.

Molecular Properties

Compound NameN-amino-N-(diethylamino)methanamine
PubChem CID54402100
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC NameN-amino-N-(diethylamino)methanamine
SMILESCCN(CC)N(C)N
InChIInChI=1S/C5H15N3/c1-4-8(5-2)7(3)6/h4-6H2,1-3H3
InChIKeyVODLDDJYKRWICZ-UHFFFAOYSA-N
XLogP0.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-(diethylamino)methanamine?
The IUPAC name of N-amino-N-(diethylamino)methanamine (CID 54402100) is N-amino-N-(diethylamino)methanamine.
What is the SMILES notation for N-amino-N-(diethylamino)methanamine?
The canonical SMILES for N-amino-N-(diethylamino)methanamine is CCN(CC)N(C)N.
What is the InChIKey of N-amino-N-(diethylamino)methanamine?
The InChIKey is VODLDDJYKRWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-4-8(5-2)7(3)6/h4-6H2,1-3H3.
What are the key properties of N-amino-N-(diethylamino)methanamine?
N-amino-N-(diethylamino)methanamine has a molecular weight of 117.20 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 N-amino-N-(diethylamino)methanamine is sourced from PubChem (CID 54402100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).