3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide

C12H25N3O — CID 77002624

IUPAC3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-11(8-12(13)14-16)15(2)9-10-6-4-5-7-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyLKNWDLFUHSODHP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.02
Rot. Bonds6

About 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide

3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 77002624) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID77002624
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-11(8-12(13)14-16)15(2)9-10-6-4-5-7-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyLKNWDLFUHSODHP-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.02
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 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide (CID 77002624) is 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N(C)CC1CCCC1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is LKNWDLFUHSODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-11(8-12(13)14-16)15(2)9-10-6-4-5-7-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77002624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).