2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine

C8H19N3O — CID 83177574

IUPAC2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine
SMILESCC(CCO)/N=C(\N)NC(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)10-8(9)11-7(3)4-5-12/h6-7,12H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyBVFCYNVDPZWLIB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds4

About 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine

2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine (PubChem CID 83177574) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine
PubChem CID83177574
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine
SMILESCC(CCO)/N=C(\N)NC(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)10-8(9)11-7(3)4-5-12/h6-7,12H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyBVFCYNVDPZWLIB-UHFFFAOYSA-N
XLogP0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
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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Related Compounds

2-(4-hydroxy-2-methylbutyl)-1-propan-2-ylguanidine
CID 66108620
1-propan-2-yl-2-(1-sulfanylpropyl)guanidine
CID 21150356
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
2,6-dimethylheptane;2,5-dimethylhexane;1,2-di(propan-2-yl)guanidine;1,3-di(propan-2-yl)urea
CID 159966773
ethyl 2-[[amino-(propan-2-ylamino)methylidene]amino]propanoate
CID 62362250
2-(5-hydroxy-4-methylpentyl)-1-propan-2-ylguanidine
CID 106162010
2-(4-hydroxy-2,2-dimethylbutyl)-1-propan-2-ylguanidine
CID 106148866
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933
1-hydroxy-2-(4-methoxybutan-2-yl)guanidine
CID 64604532
2-(5-hydroxy-2,2-dimethylpentyl)-1-propan-2-ylguanidine
CID 106148874
3-(methylideneamino)butan-1-ol
CID 72516607

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine (CID 83177574) is 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine is CC(CCO)/N=C(\N)NC(C)C.
What is the InChIKey of 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine?
The InChIKey is BVFCYNVDPZWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)10-8(9)11-7(3)4-5-12/h6-7,12H,4-5H2,1-3H3,(H3,9,10,11).
What are the key properties of 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine?
2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine has a molecular weight of 173.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-yl)-1-propan-2-ylguanidine is sourced from PubChem (CID 83177574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).