1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine

C11H25N3 — CID 89335604

IUPAC1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
SMILESCNC1CC(NC)CN(C(C)(C)C)C1
InChIInChI=1S/C11H25N3/c1-11(2,3)14-7-9(12-4)6-10(8-14)13-5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyUJTLPHBPWGVUDG-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.67
Rot. Bonds2

About 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine

1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine (PubChem CID 89335604) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine.

Molecular Properties

Compound Name1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
PubChem CID89335604
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
SMILESCNC1CC(NC)CN(C(C)(C)C)C1
InChIInChI=1S/C11H25N3/c1-11(2,3)14-7-9(12-4)6-10(8-14)13-5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyUJTLPHBPWGVUDG-UHFFFAOYSA-N
XLogP0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine?
The IUPAC name of 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine (CID 89335604) is 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine.
What is the SMILES notation for 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine?
The canonical SMILES for 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine is CNC1CC(NC)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine?
The InChIKey is UJTLPHBPWGVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-11(2,3)14-7-9(12-4)6-10(8-14)13-5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine?
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine is sourced from PubChem (CID 89335604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).