(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate

C16H31NO2 — CID 104686009

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
SMILESCC1CCC(C(C)C)C(OC(=O)C(C)CCCN)C1
InChIInChI=1S/C16H31NO2/c1-11(2)14-8-7-12(3)10-15(14)19-16(18)13(4)6-5-9-17/h11-15H,5-10,17H2,1-4H3
InChIKeyWXMBPMRBSAYLKL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.37
Rot. Bonds6

About (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate

(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate (PubChem CID 104686009) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
PubChem CID104686009
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
SMILESCC1CCC(C(C)C)C(OC(=O)C(C)CCCN)C1
InChIInChI=1S/C16H31NO2/c1-11(2)14-8-7-12(3)10-15(14)19-16(18)13(4)6-5-9-17/h11-15H,5-10,17H2,1-4H3
InChIKeyWXMBPMRBSAYLKL-UHFFFAOYSA-N
XLogP3.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate
CID 65285377
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
[(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,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate;hydrochloride
CID 67305263
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-3-oxobutanoate
CID 156702086
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate (CID 104686009) is (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate is CC1CCC(C(C)C)C(OC(=O)C(C)CCCN)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate?
The InChIKey is WXMBPMRBSAYLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(2)14-8-7-12(3)10-15(14)19-16(18)13(4)6-5-9-17/h11-15H,5-10,17H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate has a molecular weight of 269.43 g/mol, XLogP of 3.37, 6 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) 5-amino-2-methylpentanoate is sourced from PubChem (CID 104686009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).