2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid

C15H30N2O2 — CID 22294138

IUPAC2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(C)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-16(2)11-4-5-13-6-8-14(9-7-13)10-12-17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyFKOIKXUZPPCMAE-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid

2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid (PubChem CID 22294138) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
PubChem CID22294138
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCN(C)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C15H30N2O2/c1-16(2)11-4-5-13-6-8-14(9-7-13)10-12-17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyFKOIKXUZPPCMAE-UHFFFAOYSA-N
XLogP3.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid (CID 22294138) is 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid is CN(C)CCCC1CCC(CCN(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The InChIKey is FKOIKXUZPPCMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-16(2)11-4-5-13-6-8-14(9-7-13)10-12-17(3)15(18)19/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid has a molecular weight of 270.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid is sourced from PubChem (CID 22294138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).