2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine

C11H25N3 — CID 83011142

IUPAC2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
SMILESCCC(CN)NN1C(C)CCCC1C
InChIInChI=1S/C11H25N3/c1-4-11(8-12)13-14-9(2)6-5-7-10(14)3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyMKVDZNXIFZUPAB-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.49
Rot. Bonds4

About 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine

2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine (PubChem CID 83011142) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
PubChem CID83011142
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
SMILESCCC(CN)NN1C(C)CCCC1C
InChIInChI=1S/C11H25N3/c1-4-11(8-12)13-14-9(2)6-5-7-10(14)3/h9-11,13H,4-8,12H2,1-3H3
InChIKeyMKVDZNXIFZUPAB-UHFFFAOYSA-N
XLogP1.49
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine (CID 83011142) is 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine is CCC(CN)NN1C(C)CCCC1C.
What is the InChIKey of 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine?
The InChIKey is MKVDZNXIFZUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-11(8-12)13-14-9(2)6-5-7-10(14)3/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine?
2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine is sourced from PubChem (CID 83011142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).