(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine

C20H25N3 — CID 143344862

IUPAC(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine
SMILESC=C(C)c1ccc([C@H](CC)NC(=C)c2ncncc2C)c(C)c1
InChIInChI=1S/C20H25N3/c1-7-19(18-9-8-17(13(2)3)10-14(18)4)23-16(6)20-15(5)11-21-12-22-20/h8-12,19,23H,2,6-7H2,1,3-5H3/t19-/m0/s1
InChIKeyAQWKJMGXSMHYFX-IBGZPJMESA-N
MW307.44 g/mol
LogP4.84
Rot. Bonds6

About (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine

(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine (PubChem CID 143344862) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine
PubChem CID143344862
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine
SMILESC=C(C)c1ccc([C@H](CC)NC(=C)c2ncncc2C)c(C)c1
InChIInChI=1S/C20H25N3/c1-7-19(18-9-8-17(13(2)3)10-14(18)4)23-16(6)20-15(5)11-21-12-22-20/h8-12,19,23H,2,6-7H2,1,3-5H3/t19-/m0/s1
InChIKeyAQWKJMGXSMHYFX-IBGZPJMESA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine?
The IUPAC name of (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine (CID 143344862) is (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine?
The canonical SMILES for (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine is C=C(C)c1ccc([C@H](CC)NC(=C)c2ncncc2C)c(C)c1.
What is the InChIKey of (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine?
The InChIKey is AQWKJMGXSMHYFX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3/c1-7-19(18-9-8-17(13(2)3)10-14(18)4)23-16(6)20-15(5)11-21-12-22-20/h8-12,19,23H,2,6-7H2,1,3-5H3/t19-/m0/s1.
What are the key properties of (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine?
(1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methyl-4-prop-1-en-2-ylphenyl)-N-[1-(5-methylpyrimidin-4-yl)ethenyl]propan-1-amine is sourced from PubChem (CID 143344862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).