[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium

C21H37N2O+ — CID 11920753

IUPAC[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium
SMILESC[C@H]1CC(C)(C)[C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H]1[NH3+]
InChIInChI=1S/C21H36N2O/c1-13-7-20(2,3)17(19(13)22)12-23-18(24)11-21-8-14-4-15(9-21)6-16(5-14)10-21/h13-17,19H,4-12,22H2,1-3H3,(H,23,24)/p+1/t13-,14?,15?,16?,17+,19+,21?/m0/s1
InChIKeyBFROGMPIPYHKPC-SNKSJUTLSA-O
MW333.54 g/mol
LogP3.00
Rot. Bonds4

About [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium

[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium (PubChem CID 11920753) has the molecular formula C21H37N2O+ and a molecular weight of 333.54 g/mol. Its IUPAC name is [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium.

Molecular Properties

Compound Name[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium
PubChem CID11920753
Molecular FormulaC21H37N2O+
Molecular Weight333.54 g/mol
Exact Mass333.29
IUPAC Name[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium
SMILESC[C@H]1CC(C)(C)[C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H]1[NH3+]
InChIInChI=1S/C21H36N2O/c1-13-7-20(2,3)17(19(13)22)12-23-18(24)11-21-8-14-4-15(9-21)6-16(5-14)10-21/h13-17,19H,4-12,22H2,1-3H3,(H,23,24)/p+1/t13-,14?,15?,16?,17+,19+,21?/m0/s1
InChIKeyBFROGMPIPYHKPC-SNKSJUTLSA-O
XLogP3.00
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium with MolForge

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Related Compounds

2-(1-adamantyl)-N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]acetamide
CID 133118988
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108539787
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methylacetamide
CID 166540472
2-(1-adamantyl)-N-(4-iodobutyl)acetamide
CID 106846218
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354327

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium?
The IUPAC name of [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium (CID 11920753) is [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium.
What is the SMILES notation for [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium?
The canonical SMILES for [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium is C[C@H]1CC(C)(C)[C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)[C@@H]1[NH3+].
What is the InChIKey of [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium?
The InChIKey is BFROGMPIPYHKPC-SNKSJUTLSA-O. The full InChI is InChI=1S/C21H36N2O/c1-13-7-20(2,3)17(19(13)22)12-23-18(24)11-21-8-14-4-15(9-21)6-16(5-14)10-21/h13-17,19H,4-12,22H2,1-3H3,(H,23,24)/p+1/t13-,14?,15?,16?,17+,19+,21?/m0/s1.
What are the key properties of [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium?
[(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium has a molecular weight of 333.54 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-2-[[[2-(1-adamantyl)acetyl]amino]methyl]-3,3,5-trimethylcyclopentyl]azanium is sourced from PubChem (CID 11920753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).