ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C14H30N2O2 — CID 157028597

IUPACethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESC=CN.CC.CC(C)(C)CC(=O)N1CCC(O)C1
InChIInChI=1S/C10H19NO2.C2H5N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2-3;1-2/h8,12H,4-7H2,1-3H3;2H,1,3H2;1-2H3
InChIKeyKBISQHORKYEVJQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.13
Rot. Bonds1

About ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one

ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 157028597) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Nameethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID157028597
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESC=CN.CC.CC(C)(C)CC(=O)N1CCC(O)C1
InChIInChI=1S/C10H19NO2.C2H5N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2-3;1-2/h8,12H,4-7H2,1-3H3;2H,1,3H2;1-2H3
InChIKeyKBISQHORKYEVJQ-UHFFFAOYSA-N
XLogP2.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
butane;ethane;1-[4-[(E)-3-(ethylideneamino)but-2-en-2-yl]phenyl]-N-methylmethanamine;formaldehyde;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 155719113
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906
1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
CID 170976675

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 157028597) is ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is C=CN.CC.CC(C)(C)CC(=O)N1CCC(O)C1.
What is the InChIKey of ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is KBISQHORKYEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H5N.C2H6/c1-10(2,3)6-9(13)11-5-4-8(12)7-11;1-2-3;1-2/h8,12H,4-7H2,1-3H3;2H,1,3H2;1-2H3.
What are the key properties of ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 258.41 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 157028597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).