1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine

C19H30N2 — CID 59295698

IUPAC1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C/C=C/c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-10-8-16(9-11-17)7-6-13-21-14-12-18(15-21)20(4)5/h6-11,18H,12-15H2,1-5H3/b7-6+
InChIKeyMIRQCTUGONPVLL-VOTSOKGWSA-N
MW286.46 g/mol
LogP3.63
Rot. Bonds4

About 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine

1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 59295698) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID59295698
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C/C=C/c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H30N2/c1-19(2,3)17-10-8-16(9-11-17)7-6-13-21-14-12-18(15-21)20(4)5/h6-11,18H,12-15H2,1-5H3/b7-6+
InChIKeyMIRQCTUGONPVLL-VOTSOKGWSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine (CID 59295698) is 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C/C=C/c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MIRQCTUGONPVLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2,3)17-10-8-16(9-11-17)7-6-13-21-14-12-18(15-21)20(4)5/h6-11,18H,12-15H2,1-5H3/b7-6+.
What are the key properties of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 59295698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).