N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine

C17H29N — CID 79421586

IUPACN-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
SMILESCc1ccccc1C(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C17H29N/c1-13(2)11-15(12-18-17(4,5)6)16-10-8-7-9-14(16)3/h7-10,13,15,18H,11-12H2,1-6H3
InChIKeyKTSMJODBFUOBRW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.51
Rot. Bonds5

About N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine

N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine (PubChem CID 79421586) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
PubChem CID79421586
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
SMILESCc1ccccc1C(CNC(C)(C)C)CC(C)C
InChIInChI=1S/C17H29N/c1-13(2)11-15(12-18-17(4,5)6)16-10-8-7-9-14(16)3/h7-10,13,15,18H,11-12H2,1-6H3
InChIKeyKTSMJODBFUOBRW-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine (CID 79421586) is N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine is Cc1ccccc1C(CNC(C)(C)C)CC(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine?
The InChIKey is KTSMJODBFUOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)11-15(12-18-17(4,5)6)16-10-8-7-9-14(16)3/h7-10,13,15,18H,11-12H2,1-6H3.
What are the key properties of N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine?
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 79421586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).