1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide

C14H25N3O — CID 78994466

IUPAC1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
SMILESCC(C)N(CCNC(=O)C1(C#N)CCC1)C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-13(18)14(10-15)6-5-7-14/h11-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyUPPKUTVFVLFJLI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.92
Rot. Bonds6

About 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide (PubChem CID 78994466) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
PubChem CID78994466
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide
SMILESCC(C)N(CCNC(=O)C1(C#N)CCC1)C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-13(18)14(10-15)6-5-7-14/h11-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyUPPKUTVFVLFJLI-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-(5-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
CID 106161672
N-[2-[di(propan-2-yl)amino]ethyl]-2-methyloxirane-2-carboxamide
CID 166429060
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide (CID 78994466) is 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide is CC(C)N(CCNC(=O)C1(C#N)CCC1)C(C)C.
What is the InChIKey of 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide?
The InChIKey is UPPKUTVFVLFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17(12(3)4)9-8-16-13(18)14(10-15)6-5-7-14/h11-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-[di(propan-2-yl)amino]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 78994466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).