ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine

C24H45N — CID 170766103

IUPACethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine
SMILESCC.CN(C)C(C)(C)CC(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H39N.C2H6/c1-19(2,3)22(8,9)18-14-12-17(13-15-18)20(4,5)16-21(6,7)23(10)11;1-2/h12-15H,16H2,1-11H3;1-2H3
InChIKeyHESWOVWHPQFGPA-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.04
Rot. Bonds5

About ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine

ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine (PubChem CID 170766103) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine.

Molecular Properties

Compound Nameethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine
PubChem CID170766103
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Nameethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine
SMILESCC.CN(C)C(C)(C)CC(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H39N.C2H6/c1-19(2,3)22(8,9)18-14-12-17(13-15-18)20(4,5)16-21(6,7)23(10)11;1-2/h12-15H,16H2,1-11H3;1-2H3
InChIKeyHESWOVWHPQFGPA-UHFFFAOYSA-N
XLogP7.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine?
The IUPAC name of ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine (CID 170766103) is ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine.
What is the SMILES notation for ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine?
The canonical SMILES for ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine is CC.CN(C)C(C)(C)CC(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1.
What is the InChIKey of ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine?
The InChIKey is HESWOVWHPQFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N.C2H6/c1-19(2,3)22(8,9)18-14-12-17(13-15-18)20(4,5)16-21(6,7)23(10)11;1-2/h12-15H,16H2,1-11H3;1-2H3.
What are the key properties of ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine?
ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine has a molecular weight of 347.63 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2,4-tetramethyl-4-[4-(2,3,3-trimethylbutan-2-yl)phenyl]pentan-2-amine is sourced from PubChem (CID 170766103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).