1-N,1-N'-ditert-butylpropane-1,1-diamine

C11H26N2 — CID 134169059

IUPAC1-N,1-N'-ditert-butylpropane-1,1-diamine
SMILESCCC(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H26N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h9,12-13H,8H2,1-7H3
InChIKeyNGRYWDSCRKOYMP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.50
Rot. Bonds3

About 1-N,1-N'-ditert-butylpropane-1,1-diamine

1-N,1-N'-ditert-butylpropane-1,1-diamine (PubChem CID 134169059) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,1-N'-ditert-butylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-ditert-butylpropane-1,1-diamine
PubChem CID134169059
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,1-N'-ditert-butylpropane-1,1-diamine
SMILESCCC(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C11H26N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h9,12-13H,8H2,1-7H3
InChIKeyNGRYWDSCRKOYMP-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-N,1-N'-ditert-butylpropane-1,1-diamine?
The IUPAC name of 1-N,1-N'-ditert-butylpropane-1,1-diamine (CID 134169059) is 1-N,1-N'-ditert-butylpropane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-ditert-butylpropane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-ditert-butylpropane-1,1-diamine is CCC(NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of 1-N,1-N'-ditert-butylpropane-1,1-diamine?
The InChIKey is NGRYWDSCRKOYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-8-9(12-10(2,3)4)13-11(5,6)7/h9,12-13H,8H2,1-7H3.
What are the key properties of 1-N,1-N'-ditert-butylpropane-1,1-diamine?
1-N,1-N'-ditert-butylpropane-1,1-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-ditert-butylpropane-1,1-diamine is sourced from PubChem (CID 134169059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).