5-hydroxypentyl(methyl)cyanamide

C7H14N2O — CID 107199507

IUPAC5-hydroxypentyl(methyl)cyanamide
SMILESCN(C#N)CCCCCO
InChIInChI=1S/C7H14N2O/c1-9(7-8)5-3-2-4-6-10/h10H,2-6H2,1H3
InChIKeyXSLHNBKABDTEOS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.56
Rot. Bonds5

About 5-hydroxypentyl(methyl)cyanamide

5-hydroxypentyl(methyl)cyanamide (PubChem CID 107199507) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-hydroxypentyl(methyl)cyanamide.

Molecular Properties

Compound Name5-hydroxypentyl(methyl)cyanamide
PubChem CID107199507
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-hydroxypentyl(methyl)cyanamide
SMILESCN(C#N)CCCCCO
InChIInChI=1S/C7H14N2O/c1-9(7-8)5-3-2-4-6-10/h10H,2-6H2,1H3
InChIKeyXSLHNBKABDTEOS-UHFFFAOYSA-N
XLogP0.56
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
3-[5-hydroxypentyl(methyl)amino]butanenitrile
CID 63223622
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
1-cyano-N-(5-hydroxypentyl)-N-methylethanesulfonamide
CID 107199708
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
2-[5-hydroxypentyl(methyl)amino]-3-methylbenzonitrile
CID 107199604
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
5-hydroxypentyl(methyl)carbamic acid
CID 90197062

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl(methyl)cyanamide?
The IUPAC name of 5-hydroxypentyl(methyl)cyanamide (CID 107199507) is 5-hydroxypentyl(methyl)cyanamide.
What is the SMILES notation for 5-hydroxypentyl(methyl)cyanamide?
The canonical SMILES for 5-hydroxypentyl(methyl)cyanamide is CN(C#N)CCCCCO.
What is the InChIKey of 5-hydroxypentyl(methyl)cyanamide?
The InChIKey is XSLHNBKABDTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9(7-8)5-3-2-4-6-10/h10H,2-6H2,1H3.
What are the key properties of 5-hydroxypentyl(methyl)cyanamide?
5-hydroxypentyl(methyl)cyanamide has a molecular weight of 142.20 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl(methyl)cyanamide is sourced from PubChem (CID 107199507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).