N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine

C17H25BrN2 — CID 63506495

IUPACN-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCn1cc(Br)c2ccccc21
InChIInChI=1S/C17H25BrN2/c1-13(2)8-9-14(3)19-10-11-20-12-16(18)15-6-4-5-7-17(15)20/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyGWIHBBFLEJACRF-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.82
Rot. Bonds7

About N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine

N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine (PubChem CID 63506495) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
PubChem CID63506495
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCCn1cc(Br)c2ccccc21
InChIInChI=1S/C17H25BrN2/c1-13(2)8-9-14(3)19-10-11-20-12-16(18)15-6-4-5-7-17(15)20/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyGWIHBBFLEJACRF-UHFFFAOYSA-N
XLogP4.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine (CID 63506495) is N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCCn1cc(Br)c2ccccc21.
What is the InChIKey of N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine?
The InChIKey is GWIHBBFLEJACRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-13(2)8-9-14(3)19-10-11-20-12-16(18)15-6-4-5-7-17(15)20/h4-7,12-14,19H,8-11H2,1-3H3.
What are the key properties of N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine?
N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine has a molecular weight of 337.31 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoindol-1-yl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 63506495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).