N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide

C13H25N3O2 — CID 63655155

IUPACN-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
SMILESCCCC(C(=O)N(C)CC1CCCC1)/C(N)=N/O
InChIInChI=1S/C13H25N3O2/c1-3-6-11(12(14)15-18)13(17)16(2)9-10-7-4-5-8-10/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGITRQEALUBQRRV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.80
Rot. Bonds6

About N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide

N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide (PubChem CID 63655155) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
PubChem CID63655155
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
SMILESCCCC(C(=O)N(C)CC1CCCC1)/C(N)=N/O
InChIInChI=1S/C13H25N3O2/c1-3-6-11(12(14)15-18)13(17)16(2)9-10-7-4-5-8-10/h10-11,18H,3-9H2,1-2H3,(H2,14,15)
InChIKeyGITRQEALUBQRRV-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.80
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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Related Compounds

(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 76924822
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923868
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79313782
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951295

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide (CID 63655155) is N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide is CCCC(C(=O)N(C)CC1CCCC1)/C(N)=N/O.
What is the InChIKey of N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide?
The InChIKey is GITRQEALUBQRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-6-11(12(14)15-18)13(17)16(2)9-10-7-4-5-8-10/h10-11,18H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide?
N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide has a molecular weight of 255.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide is sourced from PubChem (CID 63655155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).