N-(2-aminocycloheptyl)hept-6-ynamide

C14H24N2O — CID 114028619

IUPACN-(2-aminocycloheptyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NC1CCCCCC1N
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-13-10-7-5-6-9-12(13)15/h1,12-13H,3-11,15H2,(H,16,17)
InChIKeyTXUIWENYZPQKCZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds5

About N-(2-aminocycloheptyl)hept-6-ynamide

N-(2-aminocycloheptyl)hept-6-ynamide (PubChem CID 114028619) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)hept-6-ynamide
PubChem CID114028619
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-aminocycloheptyl)hept-6-ynamide
SMILESC#CCCCCC(=O)NC1CCCCCC1N
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-13-10-7-5-6-9-12(13)15/h1,12-13H,3-11,15H2,(H,16,17)
InChIKeyTXUIWENYZPQKCZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
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

N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428
N-(2-aminocyclopentyl)-2-cyclohexylacetamide
CID 63251405
1-cyclohexylhex-5-yn-1-one
CID 10354296
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)hept-6-ynamide?
The IUPAC name of N-(2-aminocycloheptyl)hept-6-ynamide (CID 114028619) is N-(2-aminocycloheptyl)hept-6-ynamide.
What is the SMILES notation for N-(2-aminocycloheptyl)hept-6-ynamide?
The canonical SMILES for N-(2-aminocycloheptyl)hept-6-ynamide is C#CCCCCC(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)hept-6-ynamide?
The InChIKey is TXUIWENYZPQKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-13-10-7-5-6-9-12(13)15/h1,12-13H,3-11,15H2,(H,16,17).
What are the key properties of N-(2-aminocycloheptyl)hept-6-ynamide?
N-(2-aminocycloheptyl)hept-6-ynamide has a molecular weight of 236.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)hept-6-ynamide is sourced from PubChem (CID 114028619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).