N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide

C14H23NO2 — CID 103908789

IUPACN-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
SMILESC#CCCCCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-9-14(17)15-11-12-7-6-8-13(16)10-12/h1,12-13,16H,3-11H2,(H,15,17)
InChIKeyPKVXEQPWSNNKRU-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide

N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide (PubChem CID 103908789) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
PubChem CID103908789
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
SMILESC#CCCCCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-9-14(17)15-11-12-7-6-8-13(16)10-12/h1,12-13,16H,3-11H2,(H,15,17)
InChIKeyPKVXEQPWSNNKRU-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.85
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

5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
5-bromo-N-(cyclobutylmethyl)pentanamide
CID 107907993
N-[(3-hydroxycyclopentyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106134001

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide (CID 103908789) is N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide is C#CCCCCC(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide?
The InChIKey is PKVXEQPWSNNKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-9-14(17)15-11-12-7-6-8-13(16)10-12/h1,12-13,16H,3-11H2,(H,15,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide?
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide has a molecular weight of 237.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide is sourced from PubChem (CID 103908789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).