2-N'-[2-(methylamino)ethyl]propane-2,2-diamine

C6H17N3 — CID 146184269

IUPAC2-N'-[2-(methylamino)ethyl]propane-2,2-diamine
SMILESCNCCNC(C)(C)N
InChIInChI=1S/C6H17N3/c1-6(2,7)9-5-4-8-3/h8-9H,4-5,7H2,1-3H3
InChIKeyCKBUAQLDONZJPT-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.51
Rot. Bonds4

About 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine

2-N'-[2-(methylamino)ethyl]propane-2,2-diamine (PubChem CID 146184269) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine.

Molecular Properties

Compound Name2-N'-[2-(methylamino)ethyl]propane-2,2-diamine
PubChem CID146184269
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-N'-[2-(methylamino)ethyl]propane-2,2-diamine
SMILESCNCCNC(C)(C)N
InChIInChI=1S/C6H17N3/c1-6(2,7)9-5-4-8-3/h8-9H,4-5,7H2,1-3H3
InChIKeyCKBUAQLDONZJPT-UHFFFAOYSA-N
XLogP-0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine?
The IUPAC name of 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine (CID 146184269) is 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine.
What is the SMILES notation for 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine?
The canonical SMILES for 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine is CNCCNC(C)(C)N.
What is the InChIKey of 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine?
The InChIKey is CKBUAQLDONZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-6(2,7)9-5-4-8-3/h8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine?
2-N'-[2-(methylamino)ethyl]propane-2,2-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[2-(methylamino)ethyl]propane-2,2-diamine is sourced from PubChem (CID 146184269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).