(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate

C18H33NO2 — CID 63542015

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C18H33NO2/c1-12(2)15-8-7-13(3)10-16(15)21-17(20)18(19)9-5-6-14(4)11-18/h12-16H,5-11,19H2,1-4H3
InChIKeyIFINNAZJAZXRRV-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.90
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate (PubChem CID 63542015) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate
PubChem CID63542015
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2(N)CCCC(C)C2)C1
InChIInChI=1S/C18H33NO2/c1-12(2)15-8-7-13(3)10-16(15)21-17(20)18(19)9-5-6-14(4)11-18/h12-16H,5-11,19H2,1-4H3
InChIKeyIFINNAZJAZXRRV-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 63540758
(5-methyl-2-propan-2-ylcyclohexyl) 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433854
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
trans-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylate
CID 124527978
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 51407482
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxoacetate;hydrate
CID 22831495
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate (CID 63542015) is (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2(N)CCCC(C)C2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate?
The InChIKey is IFINNAZJAZXRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-12(2)15-8-7-13(3)10-16(15)21-17(20)18(19)9-5-6-14(4)11-18/h12-16H,5-11,19H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 1-amino-3-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 63542015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).