2-hexan-3-yl-1-hydroxyguanidine

C7H17N3O — CID 62483735

IUPAC2-hexan-3-yl-1-hydroxyguanidine
SMILESCCCC(CC)/N=C(\N)NO
InChIInChI=1S/C7H17N3O/c1-3-5-6(4-2)9-7(8)10-11/h6,11H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeyIKJMHBRPEOLOFT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.86
Rot. Bonds4

About 2-hexan-3-yl-1-hydroxyguanidine

2-hexan-3-yl-1-hydroxyguanidine (PubChem CID 62483735) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-hexan-3-yl-1-hydroxyguanidine.

Molecular Properties

Compound Name2-hexan-3-yl-1-hydroxyguanidine
PubChem CID62483735
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-hexan-3-yl-1-hydroxyguanidine
SMILESCCCC(CC)/N=C(\N)NO
InChIInChI=1S/C7H17N3O/c1-3-5-6(4-2)9-7(8)10-11/h6,11H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeyIKJMHBRPEOLOFT-UHFFFAOYSA-N
XLogP0.86
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(N'-hexan-3-ylcarbamimidoyl)thiourea
CID 131715893
2-heptan-4-yl-1-methylideneguanidine
CID 143219688
1-tert-butyl-2-octan-4-ylguanidine
CID 106025625
N'-hexan-3-ylcyclohexanecarboximidamide
CID 63176891
2-octan-4-ylguanidine
CID 106025621
1-hydroxy-2-(4-methoxybutan-2-yl)guanidine
CID 64604532
2-(1-ethoxypropan-2-yl)-1-hydroxyguanidine
CID 62482092
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
1-hydroxy-2-(1-methylsulfanylpropan-2-yl)guanidine
CID 104863199
ethane;1-hydroxy-2-propylguanidine
CID 162518458
1-(diaminomethylidene)-2-octan-3-ylguanidine
CID 87523734
1-carbamimidoyl-2-(6-chlorohexan-3-yl)guanidine;hydrochloride
CID 176522828

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-yl-1-hydroxyguanidine?
The IUPAC name of 2-hexan-3-yl-1-hydroxyguanidine (CID 62483735) is 2-hexan-3-yl-1-hydroxyguanidine.
What is the SMILES notation for 2-hexan-3-yl-1-hydroxyguanidine?
The canonical SMILES for 2-hexan-3-yl-1-hydroxyguanidine is CCCC(CC)/N=C(\N)NO.
What is the InChIKey of 2-hexan-3-yl-1-hydroxyguanidine?
The InChIKey is IKJMHBRPEOLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-5-6(4-2)9-7(8)10-11/h6,11H,3-5H2,1-2H3,(H3,8,9,10).
What are the key properties of 2-hexan-3-yl-1-hydroxyguanidine?
2-hexan-3-yl-1-hydroxyguanidine has a molecular weight of 159.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-1-hydroxyguanidine is sourced from PubChem (CID 62483735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).