N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine

C20H31N — CID 64774222

IUPACN-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-3-21-20(17-13-11-15(2)12-14-17)19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,15,17,19-21H,3,6,8,10-14H2,1-2H3
InChIKeyOZNLFNOCCLUPKJ-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.91
Rot. Bonds4

About N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine (PubChem CID 64774222) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
PubChem CID64774222
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-3-21-20(17-13-11-15(2)12-14-17)19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,15,17,19-21H,3,6,8,10-14H2,1-2H3
InChIKeyOZNLFNOCCLUPKJ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine (CID 64774222) is N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine is CCNC(C1CCC(C)CC1)C1CCCc2ccccc21.
What is the InChIKey of N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
The InChIKey is OZNLFNOCCLUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-21-20(17-13-11-15(2)12-14-17)19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,15,17,19-21H,3,6,8,10-14H2,1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine has a molecular weight of 285.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 64774222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).