2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine

C16H35N3 — CID 83011958

IUPAC2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)NN1C(C)CCCC1C
InChIInChI=1S/C16H35N3/c1-6-13(3)11-16(7-2,12-17)18-19-14(4)9-8-10-15(19)5/h13-15,18H,6-12,17H2,1-5H3
InChIKeyTXMWIJZNUHHKJC-UHFFFAOYSA-N
MW269.48 g/mol
LogP3.30
Rot. Bonds7

About 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine

2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine (PubChem CID 83011958) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine
PubChem CID83011958
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)NN1C(C)CCCC1C
InChIInChI=1S/C16H35N3/c1-6-13(3)11-16(7-2,12-17)18-19-14(4)9-8-10-15(19)5/h13-15,18H,6-12,17H2,1-5H3
InChIKeyTXMWIJZNUHHKJC-UHFFFAOYSA-N
XLogP3.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 53.30
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)-2-ethyl-4-methylhexane-1,2-diamine?
The IUPAC name of 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine (CID 83011958) is 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine?
The canonical SMILES for 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine is CCC(C)CC(CC)(CN)NN1C(C)CCCC1C.
What is the InChIKey of 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine?
The InChIKey is TXMWIJZNUHHKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-13(3)11-16(7-2,12-17)18-19-14(4)9-8-10-15(19)5/h13-15,18H,6-12,17H2,1-5H3.
What are the key properties of 2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine?
2-N-(2,6-dimethylpiperidin-1-yl)-2-ethyl-4-methylhexane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 3.30, 7 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)-2-ethyl-4-methylhexane-1,2-diamine is sourced from PubChem (CID 83011958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).