1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide

C17H30N2O — CID 71277092

IUPAC1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(CC2CCCN3CCCC[C@H]23)CCCCC1
InChIInChI=1S/C17H30N2O/c18-16(20)17(9-3-1-4-10-17)13-14-7-6-12-19-11-5-2-8-15(14)19/h14-15H,1-13H2,(H2,18,20)/t14?,15-/m1/s1
InChIKeyQFHUWTNWTCTFNT-YSSOQSIOSA-N
MW278.44 g/mol
LogP3.08
Rot. Bonds3

About 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide

1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 71277092) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide
PubChem CID71277092
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(CC2CCCN3CCCC[C@H]23)CCCCC1
InChIInChI=1S/C17H30N2O/c18-16(20)17(9-3-1-4-10-17)13-14-7-6-12-19-11-5-2-8-15(14)19/h14-15H,1-13H2,(H2,18,20)/t14?,15-/m1/s1
InChIKeyQFHUWTNWTCTFNT-YSSOQSIOSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide (CID 71277092) is 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide is NC(=O)C1(CC2CCCN3CCCC[C@H]23)CCCCC1.
What is the InChIKey of 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is QFHUWTNWTCTFNT-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H30N2O/c18-16(20)17(9-3-1-4-10-17)13-14-7-6-12-19-11-5-2-8-15(14)19/h14-15H,1-13H2,(H2,18,20)/t14?,15-/m1/s1.
What are the key properties of 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide?
1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71277092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).