2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine

C14H27N3 — CID 112541055

IUPAC2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
SMILESCCN1CC2C3CCN(CC3)C2C1CCNC
InChIInChI=1S/C14H27N3/c1-3-16-10-12-11-5-8-17(9-6-11)14(12)13(16)4-7-15-2/h11-15H,3-10H2,1-2H3
InChIKeyRVCAVKLGTVZBML-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine

2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine (PubChem CID 112541055) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
PubChem CID112541055
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine
SMILESCCN1CC2C3CCN(CC3)C2C1CCNC
InChIInChI=1S/C14H27N3/c1-3-16-10-12-11-5-8-17(9-6-11)14(12)13(16)4-7-15-2/h11-15H,3-10H2,1-2H3
InChIKeyRVCAVKLGTVZBML-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)butan-2-amine
CID 83986048
methyl 2-(4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)acetate
CID 83986068
ethyl 4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carboxylate
CID 83986025
4-propyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carbonitrile
CID 112541060
2-(1-azabicyclo[2.2.2]octan-3-yl)-N-methylethanamine
CID 22404823
2,2,2-trifluoro-N-[(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)methyl]ethanamine
CID 112541034
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
2-(1-ethylsulfonylpiperidin-4-yl)-N-methylethanamine;hydrochloride
CID 120718277
methyl 2-amino-3-(4-methyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)propanoate
CID 83985995
2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
CID 64753096
2-[(2R)-4-ethylmorpholin-2-yl]-N-methylethanamine;molecular hydrogen
CID 169214323
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine (CID 112541055) is 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine is CCN1CC2C3CCN(CC3)C2C1CCNC.
What is the InChIKey of 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine?
The InChIKey is RVCAVKLGTVZBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-16-10-12-11-5-8-17(9-6-11)14(12)13(16)4-7-15-2/h11-15H,3-10H2,1-2H3.
What are the key properties of 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine?
2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine has a molecular weight of 237.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecan-3-yl)-N-methylethanamine is sourced from PubChem (CID 112541055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).