2-[5-hydroxypentyl(methyl)amino]ethanimidamide

C8H19N3O — CID 107200220

IUPAC2-[5-hydroxypentyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCCCCO
InChIInChI=1S/C8H19N3O/c1-11(7-8(9)10)5-3-2-4-6-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyJTERHWJKXMGVLM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.02
Rot. Bonds7

About 2-[5-hydroxypentyl(methyl)amino]ethanimidamide

2-[5-hydroxypentyl(methyl)amino]ethanimidamide (PubChem CID 107200220) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(methyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[5-hydroxypentyl(methyl)amino]ethanimidamide
PubChem CID107200220
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[5-hydroxypentyl(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCCCCO
InChIInChI=1S/C8H19N3O/c1-11(7-8(9)10)5-3-2-4-6-12/h12H,2-7H2,1H3,(H3,9,10)
InChIKeyJTERHWJKXMGVLM-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.02
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'}

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Related Compounds

2-[hydroxy(methyl)amino]ethanimidamide
CID 87382268
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[2-methoxyethyl(methyl)amino]ethanimidamide
CID 61427043
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
7-hydroxyheptanimidamide;hydrochloride
CID 158249360
2-[bis(2-hydroxyethyl)amino]ethanimidamide
CID 61236367
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79387470
3-[butyl(methyl)amino]propanimidamide
CID 24696065
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[methyl(2-methylsulfanylethyl)amino]pentanimidamide
CID 112660222

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(methyl)amino]ethanimidamide?
The IUPAC name of 2-[5-hydroxypentyl(methyl)amino]ethanimidamide (CID 107200220) is 2-[5-hydroxypentyl(methyl)amino]ethanimidamide.
What is the SMILES notation for 2-[5-hydroxypentyl(methyl)amino]ethanimidamide?
The canonical SMILES for 2-[5-hydroxypentyl(methyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CCCCCO.
What is the InChIKey of 2-[5-hydroxypentyl(methyl)amino]ethanimidamide?
The InChIKey is JTERHWJKXMGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-11(7-8(9)10)5-3-2-4-6-12/h12H,2-7H2,1H3,(H3,9,10).
What are the key properties of 2-[5-hydroxypentyl(methyl)amino]ethanimidamide?
2-[5-hydroxypentyl(methyl)amino]ethanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(methyl)amino]ethanimidamide is sourced from PubChem (CID 107200220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).