2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane

C12H26N2O — CID 157418775

IUPAC2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane
SMILESC.CN(C)CC1CCC(CN(C)C)C1=O
InChIInChI=1S/C11H22N2O.CH4/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;/h9-10H,5-8H2,1-4H3;1H4
InChIKeyBPDVVTKWODBKKC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds4

About 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane

2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane (PubChem CID 157418775) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane.

Molecular Properties

Compound Name2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane
PubChem CID157418775
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane
SMILESC.CN(C)CC1CCC(CN(C)C)C1=O
InChIInChI=1S/C11H22N2O.CH4/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;/h9-10H,5-8H2,1-4H3;1H4
InChIKeyBPDVVTKWODBKKC-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane?
The IUPAC name of 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane (CID 157418775) is 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane.
What is the SMILES notation for 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane?
The canonical SMILES for 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane is C.CN(C)CC1CCC(CN(C)C)C1=O.
What is the InChIKey of 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane?
The InChIKey is BPDVVTKWODBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.CH4/c1-12(2)7-9-5-6-10(11(9)14)8-13(3)4;/h9-10H,5-8H2,1-4H3;1H4.
What are the key properties of 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane?
2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane has a molecular weight of 214.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(dimethylamino)methyl]cyclopentan-1-one;methane is sourced from PubChem (CID 157418775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).