(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate

C18H35NO2 — CID 65285377

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H35NO2/c1-12(2)16-10-9-13(3)11-17(16)21-18(20)14(4)7-6-8-15(5)19/h12-17H,6-11,19H2,1-5H3
InChIKeyNUHWJICMVHDIGV-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.14
Rot. Bonds7

About (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate

(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate (PubChem CID 65285377) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate
PubChem CID65285377
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate
SMILESCC(N)CCCC(C)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C18H35NO2/c1-12(2)16-10-9-13(3)11-17(16)21-18(20)14(4)7-6-8-15(5)19/h12-17H,6-11,19H2,1-5H3
InChIKeyNUHWJICMVHDIGV-UHFFFAOYSA-N
XLogP4.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686009
[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxypropanoate
CID 42531163
[(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
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-3-oxobutanoate
CID 156702086
[(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
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
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) 6-amino-2-methylheptanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate (CID 65285377) is (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate is CC(N)CCCC(C)C(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate?
The InChIKey is NUHWJICMVHDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-12(2)16-10-9-13(3)11-17(16)21-18(20)14(4)7-6-8-15(5)19/h12-17H,6-11,19H2,1-5H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate?
(5-methyl-2-propan-2-ylcyclohexyl) 6-amino-2-methylheptanoate has a molecular weight of 297.48 g/mol, XLogP of 4.14, 7 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) 6-amino-2-methylheptanoate is sourced from PubChem (CID 65285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).