N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide

C11H25N3O — CID 77030340

IUPACN'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
SMILESCC(C)CCC(C)NCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-9(2)6-7-10(3)13-8-4-5-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBSZDACHFCVCBHA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.93
Rot. Bonds8

About N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide

N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide (PubChem CID 77030340) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
PubChem CID77030340
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
SMILESCC(C)CCC(C)NCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-9(2)6-7-10(3)13-8-4-5-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyBSZDACHFCVCBHA-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-4-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865883
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide (CID 77030340) is N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide is CC(C)CCC(C)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide?
The InChIKey is BSZDACHFCVCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)6-7-10(3)13-8-4-5-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide?
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide is sourced from PubChem (CID 77030340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).