methyl 4-[(4-propylcycloheptyl)amino]butanoate

C15H29NO2 — CID 65091252

IUPACmethyl 4-[(4-propylcycloheptyl)amino]butanoate
SMILESCCCC1CCCC(NCCCC(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-3-6-13-7-4-8-14(11-10-13)16-12-5-9-15(17)18-2/h13-14,16H,3-12H2,1-2H3
InChIKeyVJQSGTNILYGQGF-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds7

About methyl 4-[(4-propylcycloheptyl)amino]butanoate

methyl 4-[(4-propylcycloheptyl)amino]butanoate (PubChem CID 65091252) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 4-[(4-propylcycloheptyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-propylcycloheptyl)amino]butanoate
PubChem CID65091252
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 4-[(4-propylcycloheptyl)amino]butanoate
SMILESCCCC1CCCC(NCCCC(=O)OC)CC1
InChIInChI=1S/C15H29NO2/c1-3-6-13-7-4-8-14(11-10-13)16-12-5-9-15(17)18-2/h13-14,16H,3-12H2,1-2H3
InChIKeyVJQSGTNILYGQGF-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.28
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

3-[(4-propylcycloheptyl)amino]propanamide
CID 65086939
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
N-propyl-3-[(4-propylcycloheptyl)amino]propanamide
CID 65091128
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262
4-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
N-methyl-2-[(4-propylcycloheptyl)amino]acetamide
CID 65086398
N-(2-ethylsulfinylethyl)-4-propylcycloheptan-1-amine
CID 113494628

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-propylcycloheptyl)amino]butanoate?
The IUPAC name of methyl 4-[(4-propylcycloheptyl)amino]butanoate (CID 65091252) is methyl 4-[(4-propylcycloheptyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(4-propylcycloheptyl)amino]butanoate?
The canonical SMILES for methyl 4-[(4-propylcycloheptyl)amino]butanoate is CCCC1CCCC(NCCCC(=O)OC)CC1.
What is the InChIKey of methyl 4-[(4-propylcycloheptyl)amino]butanoate?
The InChIKey is VJQSGTNILYGQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-6-13-7-4-8-14(11-10-13)16-12-5-9-15(17)18-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of methyl 4-[(4-propylcycloheptyl)amino]butanoate?
methyl 4-[(4-propylcycloheptyl)amino]butanoate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-propylcycloheptyl)amino]butanoate is sourced from PubChem (CID 65091252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).