N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide

C12H23N2O+ — CID 5014737

IUPACN-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide
SMILESCC(=O)NCC1CCC[NH+]2CCCCC12
InChIInChI=1S/C12H22N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h11-12H,2-9H2,1H3,(H,13,15)/p+1
InChIKeyUMTHZDQDXDKDED-UHFFFAOYSA-O
MW211.33 g/mol
LogP-0.03
Rot. Bonds2

About N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide

N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide (PubChem CID 5014737) has the molecular formula C12H23N2O+ and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide
PubChem CID5014737
Molecular FormulaC12H23N2O+
Molecular Weight211.33 g/mol
Exact Mass211.18
IUPAC NameN-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide
SMILESCC(=O)NCC1CCC[NH+]2CCCCC12
InChIInChI=1S/C12H22N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h11-12H,2-9H2,1H3,(H,13,15)/p+1
InChIKeyUMTHZDQDXDKDED-UHFFFAOYSA-O
XLogP-0.03
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1R,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl]-2-methylbenzamide
CID 7120208
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[[(1R,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl]-3-bromobenzamide
CID 7767929
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-methylpropanoate
CID 11874171
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
O-[[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl] N-ethylcarbamothioate
CID 11872333
ethyl 2-methyl-3-(2-pyrrolidin-1-ium-1-ylcyclohexyl)propanoate
CID 23391656
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 3-bromopropanoate
CID 11873346
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2,4,6-trimethylbenzoate
CID 11909239
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl N-phenylcarbamate
CID 11871214
[(1R,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl (2R)-2-bromohexanoate
CID 11873468
[(1S,9aR)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methyl 2-benzamidoacetate
CID 11898479

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide?
The IUPAC name of N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide (CID 5014737) is N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide.
What is the SMILES notation for N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide?
The canonical SMILES for N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide is CC(=O)NCC1CCC[NH+]2CCCCC12.
What is the InChIKey of N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide?
The InChIKey is UMTHZDQDXDKDED-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2O/c1-10(15)13-9-11-5-4-8-14-7-3-2-6-12(11)14/h11-12H,2-9H2,1H3,(H,13,15)/p+1.
What are the key properties of N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide?
N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide has a molecular weight of 211.33 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide is sourced from PubChem (CID 5014737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).