methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate

C14H27NO2 — CID 64754964

IUPACmethyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CCC(C)CC1C
InChIInChI=1S/C14H27NO2/c1-10(2)9-15-14(13(16)17-5)7-6-11(3)8-12(14)4/h10-12,15H,6-9H2,1-5H3
InChIKeySLVCRLWFJCVKEN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds4

About methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate

methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate (PubChem CID 64754964) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
PubChem CID64754964
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CCC(C)CC1C
InChIInChI=1S/C14H27NO2/c1-10(2)9-15-14(13(16)17-5)7-6-11(3)8-12(14)4/h10-12,15H,6-9H2,1-5H3
InChIKeySLVCRLWFJCVKEN-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 64756673
ethyl 2,4-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64754128
methyl 1-hydroxy-2,4-dimethylcyclohexane-1-carboxylate
CID 64756046
1-(aminomethyl)-2,4-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 65384767
2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 81320441
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
2,4-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754739
methyl 2-[1-(1-aminoethyl)-2,4-dimethylcyclohexyl]acetate
CID 66098118
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 112682446
methyl 3-methyl-4-(2-methylpropylamino)-2,3-dihydrochromene-4-carboxylate
CID 104524498
ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate (CID 64754964) is methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate is COC(=O)C1(NCC(C)C)CCC(C)CC1C.
What is the InChIKey of methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The InChIKey is SLVCRLWFJCVKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)9-15-14(13(16)17-5)7-6-11(3)8-12(14)4/h10-12,15H,6-9H2,1-5H3.
What are the key properties of methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 64754964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).