N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide

C13H24N2O — CID 123772952

IUPACN-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC(=O)NC12CC(C)CC(C1)C(N)C(C)C2
InChIInChI=1S/C13H24N2O/c1-8-4-11-7-13(5-8,15-10(3)16)6-9(2)12(11)14/h8-9,11-12H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyIBKCMMWTAVKKKC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds1

About N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide

N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide (PubChem CID 123772952) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide
PubChem CID123772952
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide
SMILESCC(=O)NC12CC(C)CC(C1)C(N)C(C)C2
InChIInChI=1S/C13H24N2O/c1-8-4-11-7-13(5-8,15-10(3)16)6-9(2)12(11)14/h8-9,11-12H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyIBKCMMWTAVKKKC-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S,5R)-4-methyl-1-adamantyl]acetamide
CID 11896190
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
2-[(2R,5R)-5-acetamido-2-(4-fluorophenyl)-3,7-dimethyl-2-bicyclo[3.3.1]nonanyl]acetic acid
CID 70862269
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
N-[(1R)-3-(aminomethyl)-7-methyl-1-bicyclo[3.3.1]nonanyl]propanamide
CID 70936326
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[(5R,11S)-11-amino-5-tricyclo[5.3.1.03,9]undecanyl]acetamide
CID 90327918

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide?
The IUPAC name of N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide (CID 123772952) is N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide.
What is the SMILES notation for N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide?
The canonical SMILES for N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide is CC(=O)NC12CC(C)CC(C1)C(N)C(C)C2.
What is the InChIKey of N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide?
The InChIKey is IBKCMMWTAVKKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-8-4-11-7-13(5-8,15-10(3)16)6-9(2)12(11)14/h8-9,11-12H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide?
N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)acetamide is sourced from PubChem (CID 123772952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).