(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine

C16H20N2S — CID 139906329

IUPAC(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine
SMILESNCc1cc(-c2ccncc2)c(C2CCCCC2)s1
InChIInChI=1S/C16H20N2S/c17-11-14-10-15(12-6-8-18-9-7-12)16(19-14)13-4-2-1-3-5-13/h6-10,13H,1-5,11,17H2
InChIKeyZVNBNEVKAUGZEY-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.32
Rot. Bonds3

About (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine

(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine (PubChem CID 139906329) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine
PubChem CID139906329
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine
SMILESNCc1cc(-c2ccncc2)c(C2CCCCC2)s1
InChIInChI=1S/C16H20N2S/c17-11-14-10-15(12-6-8-18-9-7-12)16(19-14)13-4-2-1-3-5-13/h6-10,13H,1-5,11,17H2
InChIKeyZVNBNEVKAUGZEY-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclohexyl-5-pyrimidin-4-ylthiophen-2-yl)methanamine
CID 139906386
(5-pyridin-4-yl-1,2-oxazol-3-yl)methanamine
CID 23006269
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106833
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
5-[(2-pyridin-4-ylazepan-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897264
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
[4-(4-chlorophenyl)-5-cyclopentyl-1,3-thiazol-2-yl]methanamine
CID 82106729
[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360101
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
3-cyclohexyl-5-pyridin-4-yl-1,2,4-oxadiazole;pentane
CID 143066868

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine?
The IUPAC name of (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine (CID 139906329) is (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine?
The canonical SMILES for (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine is NCc1cc(-c2ccncc2)c(C2CCCCC2)s1.
What is the InChIKey of (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine?
The InChIKey is ZVNBNEVKAUGZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-11-14-10-15(12-6-8-18-9-7-12)16(19-14)13-4-2-1-3-5-13/h6-10,13H,1-5,11,17H2.
What are the key properties of (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine?
(5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine has a molecular weight of 272.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-4-pyridin-4-ylthiophen-2-yl)methanamine is sourced from PubChem (CID 139906329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).