4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine

C14H24N2S — CID 79741971

IUPAC4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCc1ccc(CC(C)NC2CCC(N)CC2)s1
InChIInChI=1S/C14H24N2S/c1-10(9-14-8-3-11(2)17-14)16-13-6-4-12(15)5-7-13/h3,8,10,12-13,16H,4-7,9,15H2,1-2H3
InChIKeyZDGWWSLDZDUGQZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.85
Rot. Bonds4

About 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine

4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine (PubChem CID 79741971) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
PubChem CID79741971
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
SMILESCc1ccc(CC(C)NC2CCC(N)CC2)s1
InChIInChI=1S/C14H24N2S/c1-10(9-14-8-3-11(2)17-14)16-13-6-4-12(15)5-7-13/h3,8,10,12-13,16H,4-7,9,15H2,1-2H3
InChIKeyZDGWWSLDZDUGQZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine (CID 79741971) is 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine is Cc1ccc(CC(C)NC2CCC(N)CC2)s1.
What is the InChIKey of 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
The InChIKey is ZDGWWSLDZDUGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(9-14-8-3-11(2)17-14)16-13-6-4-12(15)5-7-13/h3,8,10,12-13,16H,4-7,9,15H2,1-2H3.
What are the key properties of 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine?
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79741971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).