[dimethylamino(propan-2-yl)amino]methanamine

C6H17N3 — CID 118974794

IUPAC[dimethylamino(propan-2-yl)amino]methanamine
SMILESCC(C)N(CN)N(C)C
InChIInChI=1S/C6H17N3/c1-6(2)9(5-7)8(3)4/h6H,5,7H2,1-4H3
InChIKeyKUFCRYUFXMXQCZ-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.09
Rot. Bonds3

About [dimethylamino(propan-2-yl)amino]methanamine

[dimethylamino(propan-2-yl)amino]methanamine (PubChem CID 118974794) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is [dimethylamino(propan-2-yl)amino]methanamine.

Molecular Properties

Compound Name[dimethylamino(propan-2-yl)amino]methanamine
PubChem CID118974794
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name[dimethylamino(propan-2-yl)amino]methanamine
SMILESCC(C)N(CN)N(C)C
InChIInChI=1S/C6H17N3/c1-6(2)9(5-7)8(3)4/h6H,5,7H2,1-4H3
InChIKeyKUFCRYUFXMXQCZ-UHFFFAOYSA-N
XLogP0.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 [dimethylamino(propan-2-yl)amino]methanamine?
The IUPAC name of [dimethylamino(propan-2-yl)amino]methanamine (CID 118974794) is [dimethylamino(propan-2-yl)amino]methanamine.
What is the SMILES notation for [dimethylamino(propan-2-yl)amino]methanamine?
The canonical SMILES for [dimethylamino(propan-2-yl)amino]methanamine is CC(C)N(CN)N(C)C.
What is the InChIKey of [dimethylamino(propan-2-yl)amino]methanamine?
The InChIKey is KUFCRYUFXMXQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-6(2)9(5-7)8(3)4/h6H,5,7H2,1-4H3.
What are the key properties of [dimethylamino(propan-2-yl)amino]methanamine?
[dimethylamino(propan-2-yl)amino]methanamine has a molecular weight of 131.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(propan-2-yl)amino]methanamine is sourced from PubChem (CID 118974794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).