2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride

C22H34ClNO — CID 22804106

IUPAC2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride
SMILESCCCC(C)(O)C1CC2C3Cc4ccccc4[C@@]2(CC)CC1N3C.Cl
InChIInChI=1S/C22H33NO.ClH/c1-5-11-21(3,24)17-13-18-19-12-15-9-7-8-10-16(15)22(18,6-2)14-20(17)23(19)4;/h7-10,17-20,24H,5-6,11-14H2,1-4H3;1H/t17?,18?,19?,20?,21?,22-;/m1./s1
InChIKeyUCIKHHAJNHRCMX-JRCRHGOGSA-N
MW363.97 g/mol
LogP4.57
Rot. Bonds4

About 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride

2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride (PubChem CID 22804106) has the molecular formula C22H34ClNO and a molecular weight of 363.97 g/mol. Its IUPAC name is 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride
PubChem CID22804106
Molecular FormulaC22H34ClNO
Molecular Weight363.97 g/mol
Exact Mass363.23
IUPAC Name2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride
SMILESCCCC(C)(O)C1CC2C3Cc4ccccc4[C@@]2(CC)CC1N3C.Cl
InChIInChI=1S/C22H33NO.ClH/c1-5-11-21(3,24)17-13-18-19-12-15-9-7-8-10-16(15)22(18,6-2)14-20(17)23(19)4;/h7-10,17-20,24H,5-6,11-14H2,1-4H3;1H/t17?,18?,19?,20?,21?,22-;/m1./s1
InChIKeyUCIKHHAJNHRCMX-JRCRHGOGSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.97
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride?
The IUPAC name of 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride (CID 22804106) is 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride.
What is the SMILES notation for 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride?
The canonical SMILES for 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride is CCCC(C)(O)C1CC2C3Cc4ccccc4[C@@]2(CC)CC1N3C.Cl.
What is the InChIKey of 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride?
The InChIKey is UCIKHHAJNHRCMX-JRCRHGOGSA-N. The full InChI is InChI=1S/C22H33NO.ClH/c1-5-11-21(3,24)17-13-18-19-12-15-9-7-8-10-16(15)22(18,6-2)14-20(17)23(19)4;/h7-10,17-20,24H,5-6,11-14H2,1-4H3;1H/t17?,18?,19?,20?,21?,22-;/m1./s1.
What are the key properties of 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride?
2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride has a molecular weight of 363.97 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-ethyl-10-methyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2,4,6-trien-12-yl]pentan-2-ol;hydrochloride is sourced from PubChem (CID 22804106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).