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

C12H22N2O — CID 121011981

IUPACN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
SMILESCC(=O)NCC12CCCCN1CCCC2
InChIInChI=1S/C12H22N2O/c1-11(15)13-10-12-6-2-4-8-14(12)9-5-3-7-12/h2-10H2,1H3,(H,13,15)
InChIKeyJOEJQPNNUOSURG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds2

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

N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide (PubChem CID 121011981) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
PubChem CID121011981
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
SMILESCC(=O)NCC12CCCCN1CCCC2
InChIInChI=1S/C12H22N2O/c1-11(15)13-10-12-6-2-4-8-14(12)9-5-3-7-12/h2-10H2,1H3,(H,13,15)
InChIKeyJOEJQPNNUOSURG-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methyl]acetamide
CID 146143469
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide?
The IUPAC name of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide (CID 121011981) is N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide.
What is the SMILES notation for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide?
The canonical SMILES for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide is CC(=O)NCC12CCCCN1CCCC2.
What is the InChIKey of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide?
The InChIKey is JOEJQPNNUOSURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(15)13-10-12-6-2-4-8-14(12)9-5-3-7-12/h2-10H2,1H3,(H,13,15).
What are the key properties of N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide?
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide is sourced from PubChem (CID 121011981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).