1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone

C18H32N2O — CID 114960256

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCC3CCCCC3C2)CC1CN
InChIInChI=1S/C18H32N2O/c1-13-8-9-20(12-17(13)11-19)18(21)16-7-6-14-4-2-3-5-15(14)10-16/h13-17H,2-12,19H2,1H3
InChIKeyFPJNFFQYJIDTPQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.04
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone (PubChem CID 114960256) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
PubChem CID114960256
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCC3CCCCC3C2)CC1CN
InChIInChI=1S/C18H32N2O/c1-13-8-9-20(12-17(13)11-19)18(21)16-7-6-14-4-2-3-5-15(14)10-16/h13-17H,2-12,19H2,1H3
InChIKeyFPJNFFQYJIDTPQ-UHFFFAOYSA-N
XLogP3.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone 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

[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 114960327
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 114960745
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 114960312
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 109480175
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 75432919
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
[2-(aminomethyl)cyclohexyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957097
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828121
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone (CID 114960256) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone is CC1CCN(C(=O)C2CCC3CCCCC3C2)CC1CN.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone?
The InChIKey is FPJNFFQYJIDTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13-8-9-20(12-17(13)11-19)18(21)16-7-6-14-4-2-3-5-15(14)10-16/h13-17H,2-12,19H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone has a molecular weight of 292.47 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 114960256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).