N-[2-(cyclononylamino)ethyl]acetamide

C13H26N2O — CID 154969023

IUPACN-[2-(cyclononylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1CCCCCCCC1
InChIInChI=1S/C13H26N2O/c1-12(16)14-10-11-15-13-8-6-4-2-3-5-7-9-13/h13,15H,2-11H2,1H3,(H,14,16)
InChIKeyMCAVOEBVRGRGFC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(cyclononylamino)ethyl]acetamide

N-[2-(cyclononylamino)ethyl]acetamide (PubChem CID 154969023) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(cyclononylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclononylamino)ethyl]acetamide
PubChem CID154969023
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(cyclononylamino)ethyl]acetamide
SMILESCC(=O)NCCNC1CCCCCCCC1
InChIInChI=1S/C13H26N2O/c1-12(16)14-10-11-15-13-8-6-4-2-3-5-7-9-13/h13,15H,2-11H2,1H3,(H,14,16)
InChIKeyMCAVOEBVRGRGFC-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
CID 79459016
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446
N-[2-[(3-hydroxycyclobutyl)amino]ethyl]acetamide
CID 107529605
N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclononylamino)ethyl]acetamide?
The IUPAC name of N-[2-(cyclononylamino)ethyl]acetamide (CID 154969023) is N-[2-(cyclononylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclononylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclononylamino)ethyl]acetamide is CC(=O)NCCNC1CCCCCCCC1.
What is the InChIKey of N-[2-(cyclononylamino)ethyl]acetamide?
The InChIKey is MCAVOEBVRGRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(16)14-10-11-15-13-8-6-4-2-3-5-7-9-13/h13,15H,2-11H2,1H3,(H,14,16).
What are the key properties of N-[2-(cyclononylamino)ethyl]acetamide?
N-[2-(cyclononylamino)ethyl]acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclononylamino)ethyl]acetamide is sourced from PubChem (CID 154969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).