2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine

C15H27N — CID 134298147

IUPAC2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
SMILESCCCC1CCC2C3CC(CC3CCN)C12
InChIInChI=1S/C15H27N/c1-2-3-10-4-5-13-14-9-12(15(10)13)8-11(14)6-7-16/h10-15H,2-9,16H2,1H3
InChIKeyYGHMELVDMRKMSB-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine

2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine (PubChem CID 134298147) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine.

Molecular Properties

Compound Name2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
PubChem CID134298147
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine
SMILESCCCC1CCC2C3CC(CC3CCN)C12
InChIInChI=1S/C15H27N/c1-2-3-10-4-5-13-14-9-12(15(10)13)8-11(14)6-7-16/h10-15H,2-9,16H2,1H3
InChIKeyYGHMELVDMRKMSB-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine?
The IUPAC name of 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine (CID 134298147) is 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine.
What is the SMILES notation for 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine?
The canonical SMILES for 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine is CCCC1CCC2C3CC(CC3CCN)C12.
What is the InChIKey of 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine?
The InChIKey is YGHMELVDMRKMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-3-10-4-5-13-14-9-12(15(10)13)8-11(14)6-7-16/h10-15H,2-9,16H2,1H3.
What are the key properties of 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine?
2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-8-tricyclo[5.2.1.02,6]decanyl)ethanamine is sourced from PubChem (CID 134298147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).