3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C18H27NO — CID 117436631

IUPAC3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1c2c(cc(O)c1C1(CN)CCCCC1)CCCC2
InChIInChI=1S/C18H27NO/c1-13-15-8-4-3-7-14(15)11-16(20)17(13)18(12-19)9-5-2-6-10-18/h11,20H,2-10,12,19H2,1H3
InChIKeyCRYKHLIYDHWNAL-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.74
Rot. Bonds2

About 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117436631) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117436631
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1c2c(cc(O)c1C1(CN)CCCCC1)CCCC2
InChIInChI=1S/C18H27NO/c1-13-15-8-4-3-7-14(15)11-16(20)17(13)18(12-19)9-5-2-6-10-18/h11,20H,2-10,12,19H2,1H3
InChIKeyCRYKHLIYDHWNAL-UHFFFAOYSA-N
XLogP3.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117436631) is 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1c2c(cc(O)c1C1(CN)CCCCC1)CCCC2.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CRYKHLIYDHWNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-15-8-4-3-7-14(15)11-16(20)17(13)18(12-19)9-5-2-6-10-18/h11,20H,2-10,12,19H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 273.42 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117436631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).