(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate

C14H27NO2 — CID 64731837

IUPAC(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-6-14(4,15)13(16)17-12-8-10(2)7-11(3)9-12/h10-12H,5-9,15H2,1-4H3
InChIKeySBFUVLDIBLAGBP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds4

About (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate

(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate (PubChem CID 64731837) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate
PubChem CID64731837
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-6-14(4,15)13(16)17-12-8-10(2)7-11(3)9-12/h10-12H,5-9,15H2,1-4H3
InChIKeySBFUVLDIBLAGBP-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
4-O-(3,5-dimethylcyclohexyl) 1-O-propyl butanedioate
CID 91702012
[(3R,5S)-3,5-dimethylcyclohexyl] hydrogen carbonate
CID 67795036
(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
(3,5-dimethylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 64731831
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-2-methylpentanoate
CID 112588251
bis(3,5-dimethylcyclohexyl) (Z)-but-2-enedioate
CID 154928944
methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
CID 64730240
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
(3,5-dimethylcyclohexyl) 3-(aminomethyl)pentanoate
CID 81073637
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244
2-(3,5-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 114988447

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate?
The IUPAC name of (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate (CID 64731837) is (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OC1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate?
The InChIKey is SBFUVLDIBLAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-14(4,15)13(16)17-12-8-10(2)7-11(3)9-12/h10-12H,5-9,15H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate?
(3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 2-amino-2-methylpentanoate is sourced from PubChem (CID 64731837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).