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

C13H30N4O — CID 77026334

IUPAC3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)CCCC(C)NCC(C)C(N)=NO
InChIInChI=1S/C13H30N4O/c1-5-17(6-2)9-7-8-12(4)15-10-11(3)13(14)16-18/h11-12,15,18H,5-10H2,1-4H3,(H2,14,16)
InChIKeyVRGOIXKLDKXJBD-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.47
Rot. Bonds10

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

3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77026334) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77026334
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)CCCC(C)NCC(C)C(N)=NO
InChIInChI=1S/C13H30N4O/c1-5-17(6-2)9-7-8-12(4)15-10-11(3)13(14)16-18/h11-12,15,18H,5-10H2,1-4H3,(H2,14,16)
InChIKeyVRGOIXKLDKXJBD-UHFFFAOYSA-N
XLogP1.47
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.47
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-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxypropanimidamide
CID 77026217
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
2-acetamido-3-[5-(diethylamino)pentan-2-ylamino]propanoic acid
CID 64580859
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
3-[5-(diethylamino)pentan-2-ylamino]-1,1,1-trifluoropropan-2-ol
CID 63899623
2-[2-(diethylamino)ethylamino]-N'-hydroxypropanimidamide
CID 77026359
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
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
4-N-butyl-1-N,1-N-diethylpentane-1,4-diamine
CID 43178406

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77026334) is 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC)CCCC(C)NCC(C)C(N)=NO.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VRGOIXKLDKXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-5-17(6-2)9-7-8-12(4)15-10-11(3)13(14)16-18/h11-12,15,18H,5-10H2,1-4H3,(H2,14,16).
What are the key properties of 3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[5-(diethylamino)pentan-2-ylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 258.41 g/mol, XLogP of 1.47, 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'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77026334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).