2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

C14H27N3O2 — CID 79350952

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCCCC(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-6-7-9(11(15)17-19)12(18)16-8-10-13(2,3)14(10,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,17)(H,16,18)
InChIKeyVYHQFAGPDFMIHS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.95
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide

2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (PubChem CID 79350952) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
PubChem CID79350952
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
SMILESCCCC(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO
InChIInChI=1S/C14H27N3O2/c1-6-7-9(11(15)17-19)12(18)16-8-10-13(2,3)14(10,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,17)(H,16,18)
InChIKeyVYHQFAGPDFMIHS-UHFFFAOYSA-N
XLogP1.95
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350697
N-[3-(diethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926351
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 107817673
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfonylethyl)pentanamide
CID 76926405
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 105419941

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide (CID 79350952) is 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is CCCC(C(=O)NCC1C(C)(C)C1(C)C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
The InChIKey is VYHQFAGPDFMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-7-9(11(15)17-19)12(18)16-8-10-13(2,3)14(10,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,17)(H,16,18).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide has a molecular weight of 269.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 79350952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).