N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide

C12H27N3O — CID 77030148

IUPACN'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
SMILESCC(C)CCC(C)NCCCCC(N)=NO
InChIInChI=1S/C12H27N3O/c1-10(2)7-8-11(3)14-9-5-4-6-12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyNQXSJUKHTBATMG-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.32
Rot. Bonds9

About N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide

N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide (PubChem CID 77030148) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
PubChem CID77030148
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
SMILESCC(C)CCC(C)NCCCCC(N)=NO
InChIInChI=1S/C12H27N3O/c1-10(2)7-8-11(3)14-9-5-4-6-12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15)
InChIKeyNQXSJUKHTBATMG-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.32
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-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
CID 77036898
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N'-hydroxy-5-(1-piperidin-1-ylpropan-2-ylamino)pentanimidamide
CID 77030734
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N'-hydroxy-4-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865883
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide
CID 114137651

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide (CID 77030148) is N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide is CC(C)CCC(C)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide?
The InChIKey is NQXSJUKHTBATMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)7-8-11(3)14-9-5-4-6-12(13)15-16/h10-11,14,16H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide?
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide is sourced from PubChem (CID 77030148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).