[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol

C14H23NOS — CID 79137952

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H23NOS/c1-10-4-3-6-14(8-10,9-15)13(16)12-11(2)5-7-17-12/h5,7,10,13,16H,3-4,6,8-9,15H2,1-2H3
InChIKeyDUZNALPBUBHCTN-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.25
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol (PubChem CID 79137952) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
PubChem CID79137952
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1(CN)CCCC(C)C1
InChIInChI=1S/C14H23NOS/c1-10-4-3-6-14(8-10,9-15)13(16)12-11(2)5-7-17-12/h5,7,10,13,16H,3-4,6,8-9,15H2,1-2H3
InChIKeyDUZNALPBUBHCTN-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol (CID 79137952) is [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1(CN)CCCC(C)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is DUZNALPBUBHCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-4-3-6-14(8-10,9-15)13(16)12-11(2)5-7-17-12/h5,7,10,13,16H,3-4,6,8-9,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 253.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79137952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).