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

C17H34N2O2 — CID 22310777

IUPAC2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCCN(CC)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C17H34N2O2/c1-4-19(5-2)13-6-7-15-8-10-16(11-9-15)12-14-18(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyXZRNIYKKWMNQAJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.91
Rot. Bonds9

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

2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid (PubChem CID 22310777) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
PubChem CID22310777
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid
SMILESCCN(CC)CCCC1CCC(CCN(C)C(=O)O)CC1
InChIInChI=1S/C17H34N2O2/c1-4-19(5-2)13-6-7-15-8-10-16(11-9-15)12-14-18(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyXZRNIYKKWMNQAJ-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid (CID 22310777) is 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid is CCN(CC)CCCC1CCC(CCN(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
The InChIKey is XZRNIYKKWMNQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-19(5-2)13-6-7-15-8-10-16(11-9-15)12-14-18(3)17(20)21/h15-16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid?
2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic 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 2-[4-[3-(diethylamino)propyl]cyclohexyl]ethyl-methylcarbamic acid is sourced from PubChem (CID 22310777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).