2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine

C13H23N — CID 167045827

IUPAC2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
SMILESCC(C)(N)C1C2CC3CCC(C2)C1C3
InChIInChI=1S/C13H23N/c1-13(2,14)12-10-5-8-3-4-9(7-10)11(12)6-8/h8-12H,3-7,14H2,1-2H3
InChIKeyMLHKUGPDGOFFJF-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.80
Rot. Bonds1

About 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine

2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine (PubChem CID 167045827) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine.

Molecular Properties

Compound Name2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
PubChem CID167045827
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine
SMILESCC(C)(N)C1C2CC3CCC(C2)C1C3
InChIInChI=1S/C13H23N/c1-13(2,14)12-10-5-8-3-4-9(7-10)11(12)6-8/h8-12H,3-7,14H2,1-2H3
InChIKeyMLHKUGPDGOFFJF-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bicyclo[2.2.1]heptanyl)propan-2-amine
CID 146232607
2-(2-bicyclo[2.2.1]heptanyl)-3-methylbicyclo[2.2.1]heptane
CID 132601108
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
trans-(1R,3S)-3-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylcyclopropan-1-amine
CID 178199728
9-[2-[(3R)-3-(2-bicyclo[2.2.1]heptanyl)cyclopentyl]propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59916272
(1S,6R)-4-methyl-5-thiatricyclo[4.4.1.03,8]undecane
CID 146416671
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
2-[3-[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]-3-[3-[3-(3-ethyl-2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptane
CID 102145393
[2-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexyl]methanamine
CID 114246999
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712

Frequently Asked Questions

What is the IUPAC name of 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine?
The IUPAC name of 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine (CID 167045827) is 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine.
What is the SMILES notation for 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine?
The canonical SMILES for 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine is CC(C)(N)C1C2CC3CCC(C2)C1C3.
What is the InChIKey of 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine?
The InChIKey is MLHKUGPDGOFFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(2,14)12-10-5-8-3-4-9(7-10)11(12)6-8/h8-12H,3-7,14H2,1-2H3.
What are the key properties of 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine?
2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-tricyclo[4.3.1.03,8]decanyl)propan-2-amine is sourced from PubChem (CID 167045827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).