2-(cycloheptylamino)-N,N,2-trimethylpropanamide

C13H26N2O — CID 115907173

IUPAC2-(cycloheptylamino)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(16)15(3)4)14-11-9-7-5-6-8-10-11/h11,14H,5-10H2,1-4H3
InChIKeyRGFMNYDPJRMKFA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds3

About 2-(cycloheptylamino)-N,N,2-trimethylpropanamide

2-(cycloheptylamino)-N,N,2-trimethylpropanamide (PubChem CID 115907173) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N,N,2-trimethylpropanamide
PubChem CID115907173
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(cycloheptylamino)-N,N,2-trimethylpropanamide
SMILESCN(C)C(=O)C(C)(C)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-13(2,12(16)15(3)4)14-11-9-7-5-6-8-10-11/h11,14H,5-10H2,1-4H3
InChIKeyRGFMNYDPJRMKFA-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
2-(cyclohexylamino)propane-2-sulfonic acid
CID 87561842
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
2-(cyclododecylamino)-N,N-dimethylacetamide
CID 43214559
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
2-(1-cyclobutylpropan-2-ylamino)-N,N,2-trimethylpropanamide
CID 115920238
(cyclohexylamino)methanetriol
CID 87845323
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
2-[bis(dimethylamino)methylidene]-N,N'-dicyclohexylpropanediamide
CID 100938462
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N,N,2-trimethylpropanamide?
The IUPAC name of 2-(cycloheptylamino)-N,N,2-trimethylpropanamide (CID 115907173) is 2-(cycloheptylamino)-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-(cycloheptylamino)-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-(cycloheptylamino)-N,N,2-trimethylpropanamide is CN(C)C(=O)C(C)(C)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-N,N,2-trimethylpropanamide?
The InChIKey is RGFMNYDPJRMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,12(16)15(3)4)14-11-9-7-5-6-8-10-11/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-(cycloheptylamino)-N,N,2-trimethylpropanamide?
2-(cycloheptylamino)-N,N,2-trimethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N,N,2-trimethylpropanamide is sourced from PubChem (CID 115907173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).