N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

C13H23N3O2 — CID 77046120

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CC1CC1)C1CC1)C(N)=NO
InChIInChI=1S/C13H23N3O2/c1-8(2)11(12(14)15-18)13(17)16(10-5-6-10)7-9-3-4-9/h8-11,18H,3-7H2,1-2H3,(H2,14,15)
InChIKeyYQXOYEPYPCZUTE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.41
Rot. Bonds6

About N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (PubChem CID 77046120) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
PubChem CID77046120
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)N(CC1CC1)C1CC1)C(N)=NO
InChIInChI=1S/C13H23N3O2/c1-8(2)11(12(14)15-18)13(17)16(10-5-6-10)7-9-3-4-9/h8-11,18H,3-7H2,1-2H3,(H2,14,15)
InChIKeyYQXOYEPYPCZUTE-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (CID 77046120) is N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is CC(C)C(C(=O)N(CC1CC1)C1CC1)C(N)=NO.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The InChIKey is YQXOYEPYPCZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)11(12(14)15-18)13(17)16(10-5-6-10)7-9-3-4-9/h8-11,18H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is sourced from PubChem (CID 77046120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).