N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen

C16H32N2 — CID 143849995

IUPACN-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen
SMILESC.CC.CCc1ccc(NC2CCCCC2)nc1.[H][H]
InChIInChI=1S/C13H20N2.C2H6.CH4.H2/c1-2-11-8-9-13(14-10-11)15-12-6-4-3-5-7-12;1-2;;/h8-10,12H,2-7H2,1H3,(H,14,15);1-2H3;1H4;1H
InChIKeyCBQLGRYTCUONGK-UHFFFAOYSA-N
MW252.45 g/mol
LogP5.30
Rot. Bonds3

About N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen

N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen (PubChem CID 143849995) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen
PubChem CID143849995
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen
SMILESC.CC.CCc1ccc(NC2CCCCC2)nc1.[H][H]
InChIInChI=1S/C13H20N2.C2H6.CH4.H2/c1-2-11-8-9-13(14-10-11)15-12-6-4-3-5-7-12;1-2;;/h8-10,12H,2-7H2,1H3,(H,14,15);1-2H3;1H4;1H
InChIKeyCBQLGRYTCUONGK-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen?
The IUPAC name of N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen (CID 143849995) is N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen is C.CC.CCc1ccc(NC2CCCCC2)nc1.[H][H].
What is the InChIKey of N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen?
The InChIKey is CBQLGRYTCUONGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C2H6.CH4.H2/c1-2-11-8-9-13(14-10-11)15-12-6-4-3-5-7-12;1-2;;/h8-10,12H,2-7H2,1H3,(H,14,15);1-2H3;1H4;1H.
What are the key properties of N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen?
N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen has a molecular weight of 252.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-ethylpyridin-2-amine;ethane;methane;molecular hydrogen is sourced from PubChem (CID 143849995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).