N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide

C13H27N3O — CID 113283329

IUPACN-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-16(2)11-13(17)15-10-9-14-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyOZJBRSSFSFHBAT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide

N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide (PubChem CID 113283329) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
PubChem CID113283329
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H27N3O/c1-16(2)11-13(17)15-10-9-14-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyOZJBRSSFSFHBAT-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
CID 119620746
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
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-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
CID 67913130
N-[2-(cycloheptylamino)ethyl]-2-cyclopropylpropanamide
CID 81482446

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide (CID 113283329) is N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide?
The InChIKey is OZJBRSSFSFHBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-16(2)11-13(17)15-10-9-14-12-7-5-3-4-6-8-12/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide?
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 113283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).