2-ethyl-1-(1-hydroxybutan-2-yl)guanidine

C7H17N3O — CID 62363948

IUPAC2-ethyl-1-(1-hydroxybutan-2-yl)guanidine
SMILESCC/N=C(\N)NC(CC)CO
InChIInChI=1S/C7H17N3O/c1-3-6(5-11)10-7(8)9-4-2/h6,11H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeyPKBDRTJUUJHNLV-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds4

About 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine

2-ethyl-1-(1-hydroxybutan-2-yl)guanidine (PubChem CID 62363948) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(1-hydroxybutan-2-yl)guanidine
PubChem CID62363948
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-ethyl-1-(1-hydroxybutan-2-yl)guanidine
SMILESCC/N=C(\N)NC(CC)CO
InChIInChI=1S/C7H17N3O/c1-3-6(5-11)10-7(8)9-4-2/h6,11H,3-5H2,1-2H3,(H3,8,9,10)
InChIKeyPKBDRTJUUJHNLV-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine?
The IUPAC name of 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine (CID 62363948) is 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine is CC/N=C(\N)NC(CC)CO.
What is the InChIKey of 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine?
The InChIKey is PKBDRTJUUJHNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-6(5-11)10-7(8)9-4-2/h6,11H,3-5H2,1-2H3,(H3,8,9,10).
What are the key properties of 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine?
2-ethyl-1-(1-hydroxybutan-2-yl)guanidine has a molecular weight of 159.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-hydroxybutan-2-yl)guanidine is sourced from PubChem (CID 62363948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).