butyl 2-[(4-propylcyclohexyl)amino]acetate

C15H29NO2 — CID 54962947

IUPACbutyl 2-[(4-propylcyclohexyl)amino]acetate
SMILESCCCCOC(=O)CNC1CCC(CCC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-11-18-15(17)12-16-14-9-7-13(6-4-2)8-10-14/h13-14,16H,3-12H2,1-2H3
InChIKeyPKIJRZGQRCHVNY-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.28
Rot. Bonds8

About butyl 2-[(4-propylcyclohexyl)amino]acetate

butyl 2-[(4-propylcyclohexyl)amino]acetate (PubChem CID 54962947) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is butyl 2-[(4-propylcyclohexyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[(4-propylcyclohexyl)amino]acetate
PubChem CID54962947
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namebutyl 2-[(4-propylcyclohexyl)amino]acetate
SMILESCCCCOC(=O)CNC1CCC(CCC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-11-18-15(17)12-16-14-9-7-13(6-4-2)8-10-14/h13-14,16H,3-12H2,1-2H3
InChIKeyPKIJRZGQRCHVNY-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

butyl 2-(cyclooctylamino)acetate
CID 54917785
butyl 3-(cyclopropylamino)propanoate
CID 60649312
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
butyl 2-[(1,1-dioxothian-3-yl)amino]acetate
CID 63923737
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
2-[[(4-propylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103245657
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531
hexyl 2-[(1,1-dioxothiolan-3-yl)amino]acetate
CID 61304492
13-cyclopropyltridecyl pentanoate
CID 54121613
butyl 4-cyclopentylbutanoate
CID 175866077

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4-propylcyclohexyl)amino]acetate?
The IUPAC name of butyl 2-[(4-propylcyclohexyl)amino]acetate (CID 54962947) is butyl 2-[(4-propylcyclohexyl)amino]acetate.
What is the SMILES notation for butyl 2-[(4-propylcyclohexyl)amino]acetate?
The canonical SMILES for butyl 2-[(4-propylcyclohexyl)amino]acetate is CCCCOC(=O)CNC1CCC(CCC)CC1.
What is the InChIKey of butyl 2-[(4-propylcyclohexyl)amino]acetate?
The InChIKey is PKIJRZGQRCHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-11-18-15(17)12-16-14-9-7-13(6-4-2)8-10-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of butyl 2-[(4-propylcyclohexyl)amino]acetate?
butyl 2-[(4-propylcyclohexyl)amino]acetate has a molecular weight of 255.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4-propylcyclohexyl)amino]acetate is sourced from PubChem (CID 54962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).