ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one

C15H30N2O — CID 143354595

IUPACethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
SMILESC=CNC(C(=O)N1CCCCC1)C(C)(C)C.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-5-14-11(13(2,3)4)12(16)15-9-7-6-8-10-15;1-2/h5,11,14H,1,6-10H2,2-4H3;1-2H3
InChIKeyLRDHOLOLPOXKBP-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.17
Rot. Bonds3

About ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one

ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one (PubChem CID 143354595) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Nameethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
PubChem CID143354595
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Nameethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one
SMILESC=CNC(C(=O)N1CCCCC1)C(C)(C)C.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-5-14-11(13(2,3)4)12(16)15-9-7-6-8-10-15;1-2/h5,11,14H,1,6-10H2,2-4H3;1-2H3
InChIKeyLRDHOLOLPOXKBP-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one (CID 143354595) is ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one is C=CNC(C(=O)N1CCCCC1)C(C)(C)C.CC.
What is the InChIKey of ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is LRDHOLOLPOXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C2H6/c1-5-14-11(13(2,3)4)12(16)15-9-7-6-8-10-15;1-2/h5,11,14H,1,6-10H2,2-4H3;1-2H3.
What are the key properties of ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one?
ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one has a molecular weight of 254.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethenylamino)-3,3-dimethyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 143354595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).