(1-hydroxy-4-methylpentan-3-yl)cyanamide

C7H14N2O — CID 106349489

IUPAC(1-hydroxy-4-methylpentan-3-yl)cyanamide
SMILESCC(C)C(CCO)NC#N
InChIInChI=1S/C7H14N2O/c1-6(2)7(3-4-10)9-5-8/h6-7,9-10H,3-4H2,1-2H3
InChIKeyXJDSSGIFIOFQON-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.46
Rot. Bonds4

About (1-hydroxy-4-methylpentan-3-yl)cyanamide

(1-hydroxy-4-methylpentan-3-yl)cyanamide (PubChem CID 106349489) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-hydroxy-4-methylpentan-3-yl)cyanamide.

Molecular Properties

Compound Name(1-hydroxy-4-methylpentan-3-yl)cyanamide
PubChem CID106349489
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1-hydroxy-4-methylpentan-3-yl)cyanamide
SMILESCC(C)C(CCO)NC#N
InChIInChI=1S/C7H14N2O/c1-6(2)7(3-4-10)9-5-8/h6-7,9-10H,3-4H2,1-2H3
InChIKeyXJDSSGIFIOFQON-UHFFFAOYSA-N
XLogP0.46
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-[(1-hydroxy-4-methylpentan-3-yl)amino]pentanenitrile
CID 106349487
5-[(1-hydroxy-4-methylpentan-3-yl)amino]-4,4-dimethylpentanenitrile
CID 111469212
2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
CID 106349522
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
4-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzonitrile
CID 103921571
2-(cyanomethylsulfanyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782079
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114
3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
CID 106348789
acetonitrile;3-methylbutan-1-ol
CID 161349190
acetonitrile;3-methylbutan-1-ol;hydrate
CID 87881666
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylpentan-3-yl)cyanamide?
The IUPAC name of (1-hydroxy-4-methylpentan-3-yl)cyanamide (CID 106349489) is (1-hydroxy-4-methylpentan-3-yl)cyanamide.
What is the SMILES notation for (1-hydroxy-4-methylpentan-3-yl)cyanamide?
The canonical SMILES for (1-hydroxy-4-methylpentan-3-yl)cyanamide is CC(C)C(CCO)NC#N.
What is the InChIKey of (1-hydroxy-4-methylpentan-3-yl)cyanamide?
The InChIKey is XJDSSGIFIOFQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(2)7(3-4-10)9-5-8/h6-7,9-10H,3-4H2,1-2H3.
What are the key properties of (1-hydroxy-4-methylpentan-3-yl)cyanamide?
(1-hydroxy-4-methylpentan-3-yl)cyanamide has a molecular weight of 142.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4-methylpentan-3-yl)cyanamide is sourced from PubChem (CID 106349489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).