(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate

C15H29NO2 — CID 114341414

IUPAC(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
SMILESCC(CCN)CCC(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-12(8-11-16)4-5-14(17)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,16H2,1-3H3
InChIKeyNILYLXAUKMQVCB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.26
Rot. Bonds6

About (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate

(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate (PubChem CID 114341414) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
PubChem CID114341414
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
SMILESCC(CCN)CCC(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-12(8-11-16)4-5-14(17)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,16H2,1-3H3
InChIKeyNILYLXAUKMQVCB-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
CID 114341464
(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
(4,4-dimethylcyclohexyl) 2-(aminomethyl)-3-methylbutanoate
CID 114341387
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418
(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
CID 114341373
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
bis(1-cyclohexyloxy-1-oxopropan-2-yl) 4-methyloctanedioate
CID 146230517
(4,4-dimethylcyclohexyl) 3-amino-5,5-dimethylhexanoate
CID 114341466
6-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylhexanamide
CID 65120023
6-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4-methylhexan-1-one
CID 107219338

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate?
The IUPAC name of (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate (CID 114341414) is (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate is CC(CCN)CCC(=O)OC1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate?
The InChIKey is NILYLXAUKMQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(8-11-16)4-5-14(17)18-13-6-9-15(2,3)10-7-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate?
(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate has a molecular weight of 255.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate is sourced from PubChem (CID 114341414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).