3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide

C10H24N4O — CID 82938574

IUPAC3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)CN(C)C
InChIInChI=1S/C10H24N4O/c1-5-9(6-10(11)13-15)12-8(2)7-14(3)4/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13)
InChIKeyPCWQVYQHJBHCBF-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.44
Rot. Bonds7

About 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide

3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide (PubChem CID 82938574) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
PubChem CID82938574
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)CN(C)C
InChIInChI=1S/C10H24N4O/c1-5-9(6-10(11)13-15)12-8(2)7-14(3)4/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13)
InChIKeyPCWQVYQHJBHCBF-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]pentanimidamide
CID 79250546
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679
N'-hydroxy-3-[methyl(2-methylbutyl)amino]pentanimidamide
CID 43295869
N'-hydroxy-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pentanimidamide
CID 106189726
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
2-N-butan-2-yl-1-N,1-N-dimethylbutane-1,2-diamine
CID 129045387

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide (CID 82938574) is 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide?
The InChIKey is PCWQVYQHJBHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-5-9(6-10(11)13-15)12-8(2)7-14(3)4/h8-9,12,15H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide?
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide has a molecular weight of 216.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 82938574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).