3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide

C12H28N4O — CID 77026217

IUPAC3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCC(C)NCCC(N)=NO
InChIInChI=1S/C12H28N4O/c1-4-16(5-2)10-6-7-11(3)14-9-8-12(13)15-17/h11,14,17H,4-10H2,1-3H3,(H2,13,15)
InChIKeyGFKNPODEBDLYFS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.22
Rot. Bonds10

About 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide

3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 77026217) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID77026217
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCCN(CC)CCCC(C)NCCC(N)=NO
InChIInChI=1S/C12H28N4O/c1-4-16(5-2)10-6-7-11(3)14-9-8-12(13)15-17/h11,14,17H,4-10H2,1-3H3,(H2,13,15)
InChIKeyGFKNPODEBDLYFS-UHFFFAOYSA-N
XLogP1.22
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.22
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

4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77026334
N'-hydroxy-3-(5-methylhexan-2-ylamino)propanimidamide
CID 77029951
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
tert-butyl 3-[[(2R)-5-(diethylamino)pentan-2-yl]amino]propanoate
CID 94133522
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide (CID 77026217) is 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide is CCN(CC)CCCC(C)NCCC(N)=NO.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is GFKNPODEBDLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c1-4-16(5-2)10-6-7-11(3)14-9-8-12(13)15-17/h11,14,17H,4-10H2,1-3H3,(H2,13,15).
What are the key properties of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide?
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 244.38 g/mol, XLogP of 1.22, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77026217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).