2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine

C9H23N3 — CID 18740704

IUPAC2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine
SMILESCNC(C)(C)N(C)C(C)(C)NC
InChIInChI=1S/C9H23N3/c1-8(2,10-5)12(7)9(3,4)11-6/h10-11H,1-7H3
InChIKeyMEVSIBPNKJVCHH-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.83
Rot. Bonds4

About 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine

2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine (PubChem CID 18740704) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine
PubChem CID18740704
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine
SMILESCNC(C)(C)N(C)C(C)(C)NC
InChIInChI=1S/C9H23N3/c1-8(2,10-5)12(7)9(3,4)11-6/h10-11H,1-7H3
InChIKeyMEVSIBPNKJVCHH-UHFFFAOYSA-N
XLogP0.83
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine?
The IUPAC name of 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine (CID 18740704) is 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine?
The canonical SMILES for 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine is CNC(C)(C)N(C)C(C)(C)NC.
What is the InChIKey of 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine?
The InChIKey is MEVSIBPNKJVCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-8(2,10-5)12(7)9(3,4)11-6/h10-11H,1-7H3.
What are the key properties of 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine?
2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-dimethyl-2-N'-[2-(methylamino)propan-2-yl]propane-2,2-diamine is sourced from PubChem (CID 18740704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).