1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate

C18H25NO2 — CID 61279902

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(N)(C(=O)OC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c1-13-9-11-18(19,12-10-13)17(20)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12,19H2,1H3
InChIKeyBBCSPGPOJDLVCJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.51
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate (PubChem CID 61279902) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
PubChem CID61279902
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate
SMILESCC1CCC(N)(C(=O)OC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c1-13-9-11-18(19,12-10-13)17(20)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12,19H2,1H3
InChIKeyBBCSPGPOJDLVCJ-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl 4-ethylpiperidine-4-carboxylate
CID 63125791
1,2,3,4-tetrahydronaphthalen-1-yl 2-propylpyrrolidine-2-carboxylate
CID 106978098
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 79423048
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-5-methylthiophene-2-carboxylate
CID 61308512
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate (CID 61279902) is 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate is CC1CCC(N)(C(=O)OC2CCCc3ccccc32)CC1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate?
The InChIKey is BBCSPGPOJDLVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-9-11-18(19,12-10-13)17(20)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,13,16H,4,6,8-12,19H2,1H3.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl 1-amino-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 61279902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).