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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Related Compounds

2-methyl-2-[2-(methylamino)ethylamino]propan-1-ol
CID 132887947
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
3-N-methylpropane-1,1,1,3-tetramine
CID 174312899
2-(methylamino)ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 138564197
N'-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
CID 61168461
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
CID 130315688
2-amino-1-(methylamino)propan-2-ol
CID 126635674
N,3,3,4,4-pentamethylpentan-1-amine
CID 81022686
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
1-N,3-dimethylhenicosane-1,3-diamine
CID 175200070
N'-(4,4-dimethylpentyl)-N-methylethane-1,2-diamine
CID 137426453

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).