N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide

C14H28N4O2 — CID 105419946

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CC1(N(C)C)CCC1)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-6-13(2,11(15)16-20)12(19)18(5)10-14(17(3)4)8-7-9-14/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyUNULMZZUAXUGHF-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.09
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide (PubChem CID 105419946) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
PubChem CID105419946
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
SMILESCCC(C)(C(=O)N(C)CC1(N(C)C)CCC1)C(N)=NO
InChIInChI=1S/C14H28N4O2/c1-6-13(2,11(15)16-20)12(19)18(5)10-14(17(3)4)8-7-9-14/h20H,6-10H2,1-5H3,(H2,15,16)
InChIKeyUNULMZZUAXUGHF-UHFFFAOYSA-N
XLogP1.09
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 114292643
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
CID 114292634
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292736
N-cyclopentyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 114292655
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 113270772
N-(1-ethylcyclobutyl)-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 104866315
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
CID 105418711
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-(pyridin-3-ylmethyl)butanamide
CID 114292663
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114292968
N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 103103726
N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propan-2-ylbutanamide
CID 114292631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide (CID 105419946) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide is CCC(C)(C(=O)N(C)CC1(N(C)C)CCC1)C(N)=NO.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide?
The InChIKey is UNULMZZUAXUGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-6-13(2,11(15)16-20)12(19)18(5)10-14(17(3)4)8-7-9-14/h20H,6-10H2,1-5H3,(H2,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 105419946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).