N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride

C16H29ClN2O — CID 5340149

IUPACN-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-18(2)6-5-17-15(19)16-9-12-3-4-13(10-16)8-14(7-12)11-16;/h12-14H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyQJMHLDJZBUKXIB-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride (PubChem CID 5340149) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
PubChem CID5340149
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC NameN-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3CCC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H28N2O.ClH/c1-18(2)6-5-17-15(19)16-9-12-3-4-13(10-16)8-14(7-12)11-16;/h12-14H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyQJMHLDJZBUKXIB-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-3-carboxamide;hydrochloride
CID 2851654
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
N-[3-[2-(diethylamino)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 30550443
2-(dimethylamino)ethyl (3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 98097063
2-(dimethylamino)ethyl tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 2836046
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
CID 134008139
N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide
CID 658885
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride (CID 5340149) is N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride is CN(C)CCNC(=O)C12CC3CCC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride?
The InChIKey is QJMHLDJZBUKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.ClH/c1-18(2)6-5-17-15(19)16-9-12-3-4-13(10-16)8-14(7-12)11-16;/h12-14H,3-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride has a molecular weight of 300.87 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride is sourced from PubChem (CID 5340149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).