2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate

C16H27NO2 — CID 98097063

IUPAC2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
SMILESCN(C)CCOC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-17(2)5-6-19-15(18)16-9-12-3-4-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3/t12-,13-,14?,16?/m0/s1
InChIKeyHMPNSQYMTGMMPC-ILGZHXLLSA-N
MW265.40 g/mol
LogP2.70
Rot. Bonds4

About 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate

2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate (PubChem CID 98097063) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
PubChem CID98097063
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
SMILESCN(C)CCOC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C16H27NO2/c1-17(2)5-6-19-15(18)16-9-12-3-4-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3/t12-,13-,14?,16?/m0/s1
InChIKeyHMPNSQYMTGMMPC-ILGZHXLLSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
bis[2-(dimethylamino)ethyl] adamantane-1,3-dicarboxylate dichloride
CID 21205610
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
tridecyl adamantane-1-carboxylate
CID 585445
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
1-(1-adamantyl)-2-[2-(dimethylamino)ethoxy]propan-1-one chloride
CID 53351420
5-bromopentyl adamantane-1-carboxylate
CID 102110457
3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate
CID 58122770
2-(1-formyloxyethoxy)ethyl adamantane-1-carboxylate
CID 21083076
3-fluoropentyl adamantane-1-carboxylate
CID 131973007
2-[bis[2-(3-methylbicyclo[3.3.1]nonane-3-carbonyl)oxyethyl]amino]ethyl 3-methylbicyclo[3.3.1]nonane-3-carboxylate
CID 135134109

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate (CID 98097063) is 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate is CN(C)CCOC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate?
The InChIKey is HMPNSQYMTGMMPC-ILGZHXLLSA-N. The full InChI is InChI=1S/C16H27NO2/c1-17(2)5-6-19-15(18)16-9-12-3-4-13(10-16)8-14(7-12)11-16/h12-14H,3-11H2,1-2H3/t12-,13-,14?,16?/m0/s1.
What are the key properties of 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate?
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate is sourced from PubChem (CID 98097063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).