N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

C16H29N3O — CID 175700571

IUPACN-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCCN(C(=O)N1C2CCC1(C)CNC2)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-18(13-7-5-4-6-8-13)15(20)19-14-9-10-16(19,2)12-17-11-14/h13-14,17H,3-12H2,1-2H3
InChIKeyUQUAWGFEUSECBQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.59
Rot. Bonds2

About N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 175700571) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
PubChem CID175700571
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
SMILESCCN(C(=O)N1C2CCC1(C)CNC2)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-3-18(13-7-5-4-6-8-13)15(20)19-14-9-10-16(19,2)12-17-11-14/h13-14,17H,3-12H2,1-2H3
InChIKeyUQUAWGFEUSECBQ-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide (CID 175700571) is N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is CCN(C(=O)N1C2CCC1(C)CNC2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is UQUAWGFEUSECBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-18(13-7-5-4-6-8-13)15(20)19-14-9-10-16(19,2)12-17-11-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide?
N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 279.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 175700571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).