(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

C17H26ClN — CID 937011

IUPAC(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C[C@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/t16-/m0/s1
InChIKeyUNAANXDKBXWMLN-INIZCTEOSA-N
MW279.86 g/mol
LogP4.74
Rot. Bonds5

About (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine

(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (PubChem CID 937011) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
PubChem CID937011
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
SMILESCC(C)C[C@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/t16-/m0/s1
InChIKeyUNAANXDKBXWMLN-INIZCTEOSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The IUPAC name of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine (CID 937011) is (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine.
What is the SMILES notation for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The canonical SMILES for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is CC(C)C[C@H](N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
The InChIKey is UNAANXDKBXWMLN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3/t16-/m0/s1.
What are the key properties of (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine?
(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine is sourced from PubChem (CID 937011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).