(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

C16H25N3 — CID 115530312

IUPAC(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-
InChIKeyWZDLFNBMVADGGO-PTNGSMBKSA-N
MW259.40 g/mol
LogP3.36
Rot. Bonds5

About (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine

(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (PubChem CID 115530312) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
PubChem CID115530312
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine
SMILESCCNC/C(=C/c1ccnc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-
InChIKeyWZDLFNBMVADGGO-PTNGSMBKSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-cyclohexyl-3-(2-methylpyrimidin-4-yl)-N-propylprop-2-en-1-amine
CID 115530315
2-cyclohexyl-N-ethyl-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 104939533
(E)-2-(cyclohexanecarbonyl)-3-(2-methylpyrimidin-4-yl)prop-2-enenitrile
CID 122525907
(E)-3-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-ethylprop-2-en-1-amine
CID 106819285
cycloheptyl-(2-methylpyrimidin-4-yl)methanone
CID 82931984
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
2-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772220
2-cyclohexyl-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529765
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The IUPAC name of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine (CID 115530312) is (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is CCNC/C(=C/c1ccnc(C)n1)C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
The InChIKey is WZDLFNBMVADGGO-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-17-12-15(14-7-5-4-6-8-14)11-16-9-10-18-13(2)19-16/h9-11,14,17H,3-8,12H2,1-2H3/b15-11-.
What are the key properties of (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine?
(E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-N-ethyl-3-(2-methylpyrimidin-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 115530312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).