2-(hexan-3-ylamino)-N'-hydroxybutanimidamide

C10H23N3O — CID 77028225

IUPAC2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
SMILESCCCC(CC)NC(CC)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-7-8(5-2)12-9(6-3)10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyXLQVNQSDXPOMLR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.68
Rot. Bonds7

About 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide

2-(hexan-3-ylamino)-N'-hydroxybutanimidamide (PubChem CID 77028225) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
PubChem CID77028225
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
SMILESCCCC(CC)NC(CC)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-7-8(5-2)12-9(6-3)10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyXLQVNQSDXPOMLR-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.68
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-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
2-(hexan-3-ylamino)-3-hydroxypropanamide
CID 138623238
2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide
CID 77032817
N'-hydroxy-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanimidamide
CID 77027448
N-pentan-3-ylhexan-3-amine
CID 62118915
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
CID 77032173
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
N-(1-amino-1-hydroxyiminopentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310807
2-(hex-1-yn-3-ylamino)-N'-hydroxypropanimidamide
CID 106230925

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide (CID 77028225) is 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide is CCCC(CC)NC(CC)C(N)=NO.
What is the InChIKey of 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide?
The InChIKey is XLQVNQSDXPOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-7-8(5-2)12-9(6-3)10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide?
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).