9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H29ClN2OS — CID 120985595

IUPAC9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3N)c(C)s1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-10-7-16(12(3)22-10)11(2)20-18(21)15-8-13-5-4-6-14(9-15)17(13)19;/h7,11,13-15,17H,4-6,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyPELIYRWPKOCHJI-UHFFFAOYSA-N
MW356.96 g/mol
LogP4.12
Rot. Bonds3

About 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985595) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985595
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC Name9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3N)c(C)s1.Cl
InChIInChI=1S/C18H28N2OS.ClH/c1-10-7-16(12(3)22-10)11(2)20-18(21)15-8-13-5-4-6-14(9-15)17(13)19;/h7,11,13-15,17H,4-6,8-9,19H2,1-3H3,(H,20,21);1H
InChIKeyPELIYRWPKOCHJI-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719881
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974946
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
trans-(1S,2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366725
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986441
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 112728851
9-amino-N-[1-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985375
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993566
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985595) is 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cc1cc(C(C)NC(=O)C2CC3CCCC(C2)C3N)c(C)s1.Cl.
What is the InChIKey of 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is PELIYRWPKOCHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS.ClH/c1-10-7-16(12(3)22-10)11(2)20-18(21)15-8-13-5-4-6-14(9-15)17(13)19;/h7,11,13-15,17H,4-6,8-9,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 356.96 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).