1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C17H28N2 — CID 79056550

IUPAC1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCc1cc(C)cc(CC(N)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-13-9-14(2)11-15(10-13)12-16(18)17(3,4)19-7-5-6-8-19/h9-11,16H,5-8,12,18H2,1-4H3
InChIKeyMHYPALDNQYPKHE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.05
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056550) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056550
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCc1cc(C)cc(CC(N)C(C)(C)N2CCCC2)c1
InChIInChI=1S/C17H28N2/c1-13-9-14(2)11-15(10-13)12-16(18)17(3,4)19-7-5-6-8-19/h9-11,16H,5-8,12,18H2,1-4H3
InChIKeyMHYPALDNQYPKHE-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79056550) is 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is Cc1cc(C)cc(CC(N)C(C)(C)N2CCCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is MHYPALDNQYPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-9-14(2)11-15(10-13)12-16(18)17(3,4)19-7-5-6-8-19/h9-11,16H,5-8,12,18H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).