2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone

C18H30N2O — CID 81100565

IUPAC2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone
SMILESCC1CCC(CN)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-11-2-3-12(9-19)10-20(11)18(21)17-15-5-13-4-14(7-15)8-16(17)6-13/h11-17H,2-10,19H2,1H3
InChIKeyZEYSJFCAVCXTOH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.64
Rot. Bonds2

About 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone

2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone (PubChem CID 81100565) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone
PubChem CID81100565
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone
SMILESCC1CCC(CN)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O/c1-11-2-3-12(9-19)10-20(11)18(21)17-15-5-13-4-14(7-15)8-16(17)6-13/h11-17H,2-10,19H2,1H3
InChIKeyZEYSJFCAVCXTOH-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,5S)-5-(aminomethyl)-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 174081766
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
2-adamantyl-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81213790
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-2-(thian-4-yl)ethanone
CID 83137149
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821986
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(azetidin-3-yl)methanone;hydrochloride
CID 130762786
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472321
(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81099267
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone (CID 81100565) is 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone is CC1CCC(CN)CN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone?
The InChIKey is ZEYSJFCAVCXTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-11-2-3-12(9-19)10-20(11)18(21)17-15-5-13-4-14(7-15)8-16(17)6-13/h11-17H,2-10,19H2,1H3.
What are the key properties of 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone?
2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone has a molecular weight of 290.45 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[5-(aminomethyl)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 81100565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).