methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate

C15H29NO2 — CID 60782440

IUPACmethyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
SMILESCOC(=O)CCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)12-7-9-13(10-8-12)16-11-5-6-14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyOKYOOGSCZPTUJO-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds5

About methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate

methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate (PubChem CID 60782440) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
PubChem CID60782440
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
SMILESCOC(=O)CCCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)12-7-9-13(10-8-12)16-11-5-6-14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyOKYOOGSCZPTUJO-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 54935093
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
4-tert-butyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 54932163
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
methyl 2-(4-tert-butylcyclohexyl)acetate;hydrochloride
CID 141145814
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate?
The IUPAC name of methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate (CID 60782440) is methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate?
The canonical SMILES for methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate is COC(=O)CCCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate?
The InChIKey is OKYOOGSCZPTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,3)12-7-9-13(10-8-12)16-11-5-6-14(17)18-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate?
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate is sourced from PubChem (CID 60782440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).