1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine

C12H28N2 — CID 154626128

IUPAC1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine
SMILESCC(C)NC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-9(2)13-10(11(3,4)5)14-12(6,7)8/h9-10,13-14H,1-8H3
InChIKeyYVIOMTKMYCJTSC-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.74
Rot. Bonds3

About 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine

1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine (PubChem CID 154626128) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine
PubChem CID154626128
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine
SMILESCC(C)NC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-9(2)13-10(11(3,4)5)14-12(6,7)8/h9-10,13-14H,1-8H3
InChIKeyYVIOMTKMYCJTSC-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine?
The IUPAC name of 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine (CID 154626128) is 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine?
The canonical SMILES for 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine is CC(C)NC(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine?
The InChIKey is YVIOMTKMYCJTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-9(2)13-10(11(3,4)5)14-12(6,7)8/h9-10,13-14H,1-8H3.
What are the key properties of 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine?
1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-2,2-dimethyl-1-N-propan-2-ylpropane-1,1-diamine is sourced from PubChem (CID 154626128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).