3-(butan-2-ylamino)-N'-hydroxypentanimidamide

C9H21N3O — CID 77026652

IUPAC3-(butan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCC(C)NC(CC)CC(N)=NO
InChIInChI=1S/C9H21N3O/c1-4-7(3)11-8(5-2)6-9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyIRBJHJGHJUGRGV-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.29
Rot. Bonds6

About 3-(butan-2-ylamino)-N'-hydroxypentanimidamide

3-(butan-2-ylamino)-N'-hydroxypentanimidamide (PubChem CID 77026652) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N'-hydroxypentanimidamide
PubChem CID77026652
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-(butan-2-ylamino)-N'-hydroxypentanimidamide
SMILESCCC(C)NC(CC)CC(N)=NO
InChIInChI=1S/C9H21N3O/c1-4-7(3)11-8(5-2)6-9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyIRBJHJGHJUGRGV-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.29
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

3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
N'-hydroxy-3-(2-piperidin-1-ylpropylamino)pentanimidamide
CID 77031316
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]pentanimidamide
CID 77112816
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(butan-2-ylamino)-N'-hydroxypentanimidamide (CID 77026652) is 3-(butan-2-ylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(butan-2-ylamino)-N'-hydroxypentanimidamide is CCC(C)NC(CC)CC(N)=NO.
What is the InChIKey of 3-(butan-2-ylamino)-N'-hydroxypentanimidamide?
The InChIKey is IRBJHJGHJUGRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-7(3)11-8(5-2)6-9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-(butan-2-ylamino)-N'-hydroxypentanimidamide?
3-(butan-2-ylamino)-N'-hydroxypentanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).