N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide

C14H25NO2 — CID 113349837

IUPACN-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-9-13(17)15-12-14(2,3)10-8-11-16/h1,16H,5-12H2,2-3H3,(H,15,17)
InChIKeyKLBBCMMRYMGICI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.09
Rot. Bonds9

About N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide

N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide (PubChem CID 113349837) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide
PubChem CID113349837
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-9-13(17)15-12-14(2,3)10-8-11-16/h1,16H,5-12H2,2-3H3,(H,15,17)
InChIKeyKLBBCMMRYMGICI-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide
CID 103908911
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
6-acetamido-N-(4-hydroxy-2,2-dimethylbutyl)hexanamide
CID 103772963
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide (CID 113349837) is N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide is C#CCCCCC(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide?
The InChIKey is KLBBCMMRYMGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-9-13(17)15-12-14(2,3)10-8-11-16/h1,16H,5-12H2,2-3H3,(H,15,17).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide?
N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide has a molecular weight of 239.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)hept-6-ynamide is sourced from PubChem (CID 113349837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).