N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide

C11H18N2O — CID 82505299

IUPACN-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
SMILESC#CC(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C11H18N2O/c1-2-10(14)13-11(9-12)7-5-3-4-6-8-11/h1H,3-9,12H2,(H,13,14)
InChIKeyOZCQOSPAKCOGGO-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.79
Rot. Bonds2

About N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide

N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide (PubChem CID 82505299) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
PubChem CID82505299
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
SMILESC#CC(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C11H18N2O/c1-2-10(14)13-11(9-12)7-5-3-4-6-8-11/h1H,3-9,12H2,(H,13,14)
InChIKeyOZCQOSPAKCOGGO-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide (CID 82505299) is N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide is C#CC(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide?
The InChIKey is OZCQOSPAKCOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-10(14)13-11(9-12)7-5-3-4-6-8-11/h1H,3-9,12H2,(H,13,14).
What are the key properties of N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide?
N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide has a molecular weight of 194.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide is sourced from PubChem (CID 82505299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).