N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline

C25H37N — CID 166649151

IUPACN-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline
SMILESCC(C)CCC(CCCC(C)Cc1ccccc1)CNc1ccccc1
InChIInChI=1S/C25H37N/c1-21(2)17-18-24(20-26-25-15-8-5-9-16-25)14-10-11-22(3)19-23-12-6-4-7-13-23/h4-9,12-13,15-16,21-22,24,26H,10-11,14,17-20H2,1-3H3
InChIKeyNKQPBKUQGWLECO-UHFFFAOYSA-N
MW351.58 g/mol
LogP7.20
Rot. Bonds12

About N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline

N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline (PubChem CID 166649151) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline.

Molecular Properties

Compound NameN-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline
PubChem CID166649151
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC NameN-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline
SMILESCC(C)CCC(CCCC(C)Cc1ccccc1)CNc1ccccc1
InChIInChI=1S/C25H37N/c1-21(2)17-18-24(20-26-25-15-8-5-9-16-25)14-10-11-22(3)19-23-12-6-4-7-13-23/h4-9,12-13,15-16,21-22,24,26H,10-11,14,17-20H2,1-3H3
InChIKeyNKQPBKUQGWLECO-UHFFFAOYSA-N
XLogP7.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline?
The IUPAC name of N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline (CID 166649151) is N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline.
What is the SMILES notation for N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline?
The canonical SMILES for N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline is CC(C)CCC(CCCC(C)Cc1ccccc1)CNc1ccccc1.
What is the InChIKey of N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline?
The InChIKey is NKQPBKUQGWLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-21(2)17-18-24(20-26-25-15-8-5-9-16-25)14-10-11-22(3)19-23-12-6-4-7-13-23/h4-9,12-13,15-16,21-22,24,26H,10-11,14,17-20H2,1-3H3.
What are the key properties of N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline?
N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline has a molecular weight of 351.58 g/mol, XLogP of 7.20, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(3-methylbutyl)-7-phenylheptyl]aniline is sourced from PubChem (CID 166649151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).