N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide

C14H26N2O — CID 61231318

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c1-4-16(14(17)7-10(2)3)13-8-11-5-6-12(9-13)15-11/h10-13,15H,4-9H2,1-3H3
InChIKeyMHTZKLHUGQASEQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.16
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide (PubChem CID 61231318) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
PubChem CID61231318
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c1-4-16(14(17)7-10(2)3)13-8-11-5-6-12(9-13)15-11/h10-13,15H,4-9H2,1-3H3
InChIKeyMHTZKLHUGQASEQ-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
CID 103514114
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
CID 61230747
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
CID 114028609
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 61232277
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61231886
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyloxolane-3-carboxamide
CID 61271461
ethyl 2-[acetyl-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]acetate
CID 59577523
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide (CID 61231318) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide is CCN(C(=O)CC(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide?
The InChIKey is MHTZKLHUGQASEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-16(14(17)7-10(2)3)13-8-11-5-6-12(9-13)15-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide has a molecular weight of 238.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 61231318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).