methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid

C17H34N2O2 — CID 22294211

IUPACmethyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid
SMILESCCCN(C)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C17H34N2O2/c1-4-12-18(2)13-5-6-15-7-9-16(10-8-15)11-14-19(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyPZYHQKPMZQFAPU-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.91
Rot. Bonds9

About methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid

methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid (PubChem CID 22294211) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid
PubChem CID22294211
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid
SMILESCCCN(C)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C17H34N2O2/c1-4-12-18(2)13-5-6-15-7-9-16(10-8-15)11-14-19(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyPZYHQKPMZQFAPU-UHFFFAOYSA-N
XLogP3.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid (CID 22294211) is methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid is CCCN(C)CCCC1CCC(CCN(C)C(=O)O)CC1.
What is the InChIKey of methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid?
The InChIKey is PZYHQKPMZQFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-12-18(2)13-5-6-15-7-9-16(10-8-15)11-14-19(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid?
methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid has a molecular weight of 298.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[4-[3-[methyl(propyl)amino]propyl]cyclohexyl]ethyl]carbamic acid is sourced from PubChem (CID 22294211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).