2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine

C13H29N3O — CID 83011250

IUPAC2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)NN1C(C)CCCC1C
InChIInChI=1S/C13H29N3O/c1-11-6-5-7-12(2)16(11)15-13(3,10-14)8-9-17-4/h11-12,15H,5-10,14H2,1-4H3
InChIKeyBZJPYNCVPWMNQJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.51
Rot. Bonds6

About 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine

2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine (PubChem CID 83011250) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine
PubChem CID83011250
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine
SMILESCOCCC(C)(CN)NN1C(C)CCCC1C
InChIInChI=1S/C13H29N3O/c1-11-6-5-7-12(2)16(11)15-13(3,10-14)8-9-17-4/h11-12,15H,5-10,14H2,1-4H3
InChIKeyBZJPYNCVPWMNQJ-UHFFFAOYSA-N
XLogP1.51
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine (CID 83011250) is 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine is COCCC(C)(CN)NN1C(C)CCCC1C.
What is the InChIKey of 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine?
The InChIKey is BZJPYNCVPWMNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11-6-5-7-12(2)16(11)15-13(3,10-14)8-9-17-4/h11-12,15H,5-10,14H2,1-4H3.
What are the key properties of 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine?
2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylpiperidin-1-yl)-4-methoxy-2-methylbutane-1,2-diamine is sourced from PubChem (CID 83011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).