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

C13H26N4O2 — CID 105419941

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCC1(N(C)C)CCC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-4-6-10(11(14)16-19)12(18)15-9-13(17(2)3)7-5-8-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyVMHQNWOIFDHUDF-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.75
Rot. Bonds7

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 105419941) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID105419941
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)NCC1(N(C)C)CCC1)C(N)=NO
InChIInChI=1S/C13H26N4O2/c1-4-6-10(11(14)16-19)12(18)15-9-13(17(2)3)7-5-8-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyVMHQNWOIFDHUDF-UHFFFAOYSA-N
XLogP0.75
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.75
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 105419941) is N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)NCC1(N(C)C)CCC1)C(N)=NO.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is VMHQNWOIFDHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-6-10(11(14)16-19)12(18)15-9-13(17(2)3)7-5-8-13/h10,19H,4-9H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 270.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 3 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)pentanamide is sourced from PubChem (CID 105419941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).