cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

C18H33N2O+ — CID 7450825

IUPACcyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-17(2)13-9-10-14(11-13)18(17,3)20-16(21)12-19-15-7-5-4-6-8-15/h13-15,19H,4-12H2,1-3H3,(H,20,21)/p+1/t13-,14+,18+/m0/s1
InChIKeyBIEGZKOQZDVENG-PMUMKWKESA-O
MW293.48 g/mol
LogP2.21
Rot. Bonds4

About cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium

cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (PubChem CID 7450825) has the molecular formula C18H33N2O+ and a molecular weight of 293.48 g/mol. Its IUPAC name is cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
PubChem CID7450825
Molecular FormulaC18H33N2O+
Molecular Weight293.48 g/mol
Exact Mass293.26
IUPAC Namecyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
SMILESCC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-17(2)13-9-10-14(11-13)18(17,3)20-16(21)12-19-15-7-5-4-6-8-15/h13-15,19H,4-12H2,1-3H3,(H,20,21)/p+1/t13-,14+,18+/m0/s1
InChIKeyBIEGZKOQZDVENG-PMUMKWKESA-O
XLogP2.21
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

cyclohexylmethyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450784
2-(cyclohexylamino)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450824
N-[(1S,2S,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 129405852
[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium
CID 7450792
3-ethoxypropyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 50937702
furan-2-ylmethyl-[2-oxo-2-[[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium
CID 7450813
2-(4-ethylpiperazin-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 50935453
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1S,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450841
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7450843
2-(4-methylpiperazin-1-yl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 171668951
2-(1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-[(1S,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 23308818
2-(3-ethoxypropylamino)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 649359

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The IUPAC name of cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium (CID 7450825) is cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium.
What is the SMILES notation for cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The canonical SMILES for cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)C[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
The InChIKey is BIEGZKOQZDVENG-PMUMKWKESA-O. The full InChI is InChI=1S/C18H32N2O/c1-17(2)13-9-10-14(11-13)18(17,3)20-16(21)12-19-15-7-5-4-6-8-15/h13-15,19H,4-12H2,1-3H3,(H,20,21)/p+1/t13-,14+,18+/m0/s1.
What are the key properties of cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium?
cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium has a molecular weight of 293.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-oxo-2-[[(1R,2R,4S)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]azanium is sourced from PubChem (CID 7450825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).