N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide

C14H28N2O — CID 114240215

IUPACN-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCCN1)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(14(2,3)4)16-13(17)12-9-7-5-6-8-10-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeySJOHIZSYISFKDK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.46
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide

N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide (PubChem CID 114240215) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
PubChem CID114240215
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
SMILESCC(NC(=O)C1CCCCCCN1)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-11(14(2,3)4)16-13(17)12-9-7-5-6-8-10-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeySJOHIZSYISFKDK-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide
CID 122081656
N-[1-(dimethylamino)-3-methylbutan-2-yl]azepane-2-carboxamide
CID 64562293

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide (CID 114240215) is N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide is CC(NC(=O)C1CCCCCCN1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide?
The InChIKey is SJOHIZSYISFKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(14(2,3)4)16-13(17)12-9-7-5-6-8-10-15-12/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide is sourced from PubChem (CID 114240215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).