7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine

C16H24BrN3 — CID 82761437

IUPAC7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCc1ccc(Br)c(NC2(CN)CCN3CCCC3C2)c1
InChIInChI=1S/C16H24BrN3/c1-12-4-5-14(17)15(9-12)19-16(11-18)6-8-20-7-2-3-13(20)10-16/h4-5,9,13,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHVJONVYDMMIAPL-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.13
Rot. Bonds3

About 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine

7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 82761437) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound Name7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID82761437
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
SMILESCc1ccc(Br)c(NC2(CN)CCN3CCCC3C2)c1
InChIInChI=1S/C16H24BrN3/c1-12-4-5-14(17)15(9-12)19-16(11-18)6-8-20-7-2-3-13(20)10-16/h4-5,9,13,19H,2-3,6-8,10-11,18H2,1H3
InChIKeyHVJONVYDMMIAPL-UHFFFAOYSA-N
XLogP3.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine (CID 82761437) is 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine is Cc1ccc(Br)c(NC2(CN)CCN3CCCC3C2)c1.
What is the InChIKey of 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is HVJONVYDMMIAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-12-4-5-14(17)15(9-12)19-16(11-18)6-8-20-7-2-3-13(20)10-16/h4-5,9,13,19H,2-3,6-8,10-11,18H2,1H3.
What are the key properties of 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine?
7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 338.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 82761437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).