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

C18H30N6O — CID 71753922

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C18H30N6O/c25-17(18(9-3-1-4-10-18)24-14-20-21-22-24)19-13-15-7-6-12-23-11-5-2-8-16(15)23/h14-16H,1-13H2,(H,19,25)/t15-,16+/m0/s1
InChIKeyDHQZDECZJNWVTR-JKSUJKDBSA-N
MW346.48 g/mol
LogP1.71
Rot. Bonds4

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

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 71753922) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID71753922
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C18H30N6O/c25-17(18(9-3-1-4-10-18)24-14-20-21-22-24)19-13-15-7-6-12-23-11-5-2-8-16(15)23/h14-16H,1-13H2,(H,19,25)/t15-,16+/m0/s1
InChIKeyDHQZDECZJNWVTR-JKSUJKDBSA-N
XLogP1.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 71753922) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(NC[C@@H]1CCCN2CCCC[C@H]12)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is DHQZDECZJNWVTR-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H30N6O/c25-17(18(9-3-1-4-10-18)24-14-20-21-22-24)19-13-15-7-6-12-23-11-5-2-8-16(15)23/h14-16H,1-13H2,(H,19,25)/t15-,16+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71753922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).