N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide

C14H23NO2 — CID 103909375

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-9-13(16)15(2)12-14(17)10-7-8-11-14/h1,17H,4-12H2,2H3
InChIKeyUHWLIRBPGRMSAB-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide

N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide (PubChem CID 103909375) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide
PubChem CID103909375
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-9-13(16)15(2)12-14(17)10-7-8-11-14/h1,17H,4-12H2,2H3
InChIKeyUHWLIRBPGRMSAB-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide (CID 103909375) is N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide is C#CCCCCC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide?
The InChIKey is UHWLIRBPGRMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-9-13(16)15(2)12-14(17)10-7-8-11-14/h1,17H,4-12H2,2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide has a molecular weight of 237.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methylhept-6-ynamide is sourced from PubChem (CID 103909375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).