3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine

C12H22N2 — CID 54031632

IUPAC3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
SMILESNCCC1C(N)CC2C3CCC(C3)C12
InChIInChI=1S/C12H22N2/c13-4-3-9-11(14)6-10-7-1-2-8(5-7)12(9)10/h7-12H,1-6,13-14H2
InChIKeyLGAAFWZULICUON-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.34
Rot. Bonds2

About 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine

3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine (PubChem CID 54031632) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
PubChem CID54031632
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine
SMILESNCCC1C(N)CC2C3CCC(C3)C12
InChIInChI=1S/C12H22N2/c13-4-3-9-11(14)6-10-7-1-2-8(5-7)12(9)10/h7-12H,1-6,13-14H2
InChIKeyLGAAFWZULICUON-UHFFFAOYSA-N
XLogP1.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-(2-aminoethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 139364896
2-[5-(2-aminoethyl)-2-bicyclo[2.2.2]octanyl]ethanamine
CID 139034685
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
[3-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 91104364
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
2-(2-cyclopentylcyclopropyl)ethanamine
CID 83826413
3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
CID 98524973
9-(2-aminoethyl)bicyclo[3.3.1]nonan-3-ol
CID 115016567
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine?
The IUPAC name of 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine (CID 54031632) is 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine.
What is the SMILES notation for 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine?
The canonical SMILES for 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine is NCCC1C(N)CC2C3CCC(C3)C12.
What is the InChIKey of 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine?
The InChIKey is LGAAFWZULICUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-4-3-9-11(14)6-10-7-1-2-8(5-7)12(9)10/h7-12H,1-6,13-14H2.
What are the key properties of 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine?
3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine has a molecular weight of 194.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)tricyclo[5.2.1.02,6]decan-4-amine is sourced from PubChem (CID 54031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).