N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine

C19H26BrN — CID 43223945

IUPACN-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C19H26BrN/c1-2-18(12-6-8-14(20)9-7-12)21-19-11-13-10-17(19)16-5-3-4-15(13)16/h6-9,13,15-19,21H,2-5,10-11H2,1H3
InChIKeyQXXPYFQRBZVXPM-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.31
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43223945) has the molecular formula C19H26BrN and a molecular weight of 348.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43223945
Molecular FormulaC19H26BrN
Molecular Weight348.33 g/mol
Exact Mass347.12
IUPAC NameN-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1
InChIInChI=1S/C19H26BrN/c1-2-18(12-6-8-14(20)9-7-12)21-19-11-13-10-17(19)16-5-3-4-15(13)16/h6-9,13,15-19,21H,2-5,10-11H2,1H3
InChIKeyQXXPYFQRBZVXPM-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43223945) is N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine is CCC(NC1CC2CC1C1CCCC21)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is QXXPYFQRBZVXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN/c1-2-18(12-6-8-14(20)9-7-12)21-19-11-13-10-17(19)16-5-3-4-15(13)16/h6-9,13,15-19,21H,2-5,10-11H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 348.33 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43223945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).