N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine

C18H30N2 — CID 81466521

IUPACN-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(C)c1ccc(NC2CC(C)N(C)C2)c(C(C)C)c1
InChIInChI=1S/C18H30N2/c1-12(2)15-7-8-18(17(10-15)13(3)4)19-16-9-14(5)20(6)11-16/h7-8,10,12-14,16,19H,9,11H2,1-6H3
InChIKeyFOXKEHZRTHPNRR-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.44
Rot. Bonds4

About N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine

N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466521) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466521
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(C)c1ccc(NC2CC(C)N(C)C2)c(C(C)C)c1
InChIInChI=1S/C18H30N2/c1-12(2)15-7-8-18(17(10-15)13(3)4)19-16-9-14(5)20(6)11-16/h7-8,10,12-14,16,19H,9,11H2,1-6H3
InChIKeyFOXKEHZRTHPNRR-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine (CID 81466521) is N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine is CC(C)c1ccc(NC2CC(C)N(C)C2)c(C(C)C)c1.
What is the InChIKey of N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is FOXKEHZRTHPNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-12(2)15-7-8-18(17(10-15)13(3)4)19-16-9-14(5)20(6)11-16/h7-8,10,12-14,16,19H,9,11H2,1-6H3.
What are the key properties of N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine?
N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 274.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).