3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride

C16H25ClN2O2 — CID 24843482

IUPAC3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCCCNC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2.ClH/c17-14-9-7-13(8-10-14)16(19)20-12-4-11-18-15-5-2-1-3-6-15;/h7-10,15,18H,1-6,11-12,17H2;1H
InChIKeyZUEJUDSAXGDFCI-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.16
Rot. Bonds6

About 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride

3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride (PubChem CID 24843482) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride
PubChem CID24843482
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride
SMILESCl.Nc1ccc(C(=O)OCCCNC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2.ClH/c17-14-9-7-13(8-10-14)16(19)20-12-4-11-18-15-5-2-1-3-6-15;/h7-10,15,18H,1-6,11-12,17H2;1H
InChIKeyZUEJUDSAXGDFCI-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylethyl 4-aminobenzoate
CID 114192361
2-(cyclohexylamino)ethyl 4-amino-2-chlorobenzoate;hydrochloride
CID 3027375
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
1-(4-aminophenyl)-2-(cyclohexylamino)ethanone
CID 82258202
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201
2-piperidin-2-ylethyl 4-aminobenzoate;hydrochloride
CID 73013054
2-(3-methoxypropylamino)ethyl 4-aminobenzoate;hydrochloride
CID 53423189
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
azane;butyl 4-aminobenzoate
CID 175088613
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
tetradecyl 4-aminobenzoate
CID 66970570

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride?
The IUPAC name of 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride (CID 24843482) is 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride.
What is the SMILES notation for 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride?
The canonical SMILES for 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride is Cl.Nc1ccc(C(=O)OCCCNC2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride?
The InChIKey is ZUEJUDSAXGDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c17-14-9-7-13(8-10-14)16(19)20-12-4-11-18-15-5-2-1-3-6-15;/h7-10,15,18H,1-6,11-12,17H2;1H.
What are the key properties of 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride?
3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)propyl 4-aminobenzoate;hydrochloride is sourced from PubChem (CID 24843482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).