2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine

C10H20N2 — CID 101328281

IUPAC2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESNCCC1CC2CC1CC2CN
InChIInChI=1S/C10H20N2/c11-2-1-7-3-9-4-8(7)5-10(9)6-12/h7-10H,1-6,11-12H2
InChIKeySQVOSKKIASIXHZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.96
Rot. Bonds3

About 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine

2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine (PubChem CID 101328281) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
PubChem CID101328281
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine
SMILESNCCC1CC2CC1CC2CN
InChIInChI=1S/C10H20N2/c11-2-1-7-3-9-4-8(7)5-10(9)6-12/h7-10H,1-6,11-12H2
InChIKeySQVOSKKIASIXHZ-UHFFFAOYSA-N
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The IUPAC name of 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine (CID 101328281) is 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine is NCCC1CC2CC1CC2CN.
What is the InChIKey of 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
The InChIKey is SQVOSKKIASIXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c11-2-1-7-3-9-4-8(7)5-10(9)6-12/h7-10H,1-6,11-12H2.
What are the key properties of 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine?
2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine has a molecular weight of 168.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]ethanamine is sourced from PubChem (CID 101328281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).