methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate

C14H27NO2 — CID 43139776

IUPACmethyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyBXXSEYISHASWOZ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds4

About methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate

methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate (PubChem CID 43139776) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
PubChem CID43139776
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namemethyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
SMILESCOC(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17-4/h11-12,15H,5-10H2,1-4H3
InChIKeyBXXSEYISHASWOZ-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 54935093
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate (CID 43139776) is methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate is COC(=O)CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate?
The InChIKey is BXXSEYISHASWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17-4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate?
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate is sourced from PubChem (CID 43139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).