N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide

C10H23N3O — CID 77029951

IUPACN'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
SMILESCC(C)CCC(C)NCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-8(2)4-5-9(3)12-7-6-10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyGNFIHBZZYCGDDD-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.54
Rot. Bonds7

About N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide

N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide (PubChem CID 77029951) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
PubChem CID77029951
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
SMILESCC(C)CCC(C)NCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-8(2)4-5-9(3)12-7-6-10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13)
InChIKeyGNFIHBZZYCGDDD-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
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
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanimidamide
CID 106161765
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81378564
N'-hydroxy-4-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865883

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide (CID 77029951) is N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide is CC(C)CCC(C)NCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide?
The InChIKey is GNFIHBZZYCGDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)4-5-9(3)12-7-6-10(11)13-14/h8-9,12,14H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide?
N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide is sourced from PubChem (CID 77029951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).