N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride

C19H32ClN3S — CID 120845331

IUPACN-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCl.c1csc(CN(CCC2CCCCC2)C2CC23CCNCC3)n1
InChIInChI=1S/C19H31N3S.ClH/c1-2-4-16(5-3-1)6-12-22(15-18-21-11-13-23-18)17-14-19(17)7-9-20-10-8-19;/h11,13,16-17,20H,1-10,12,14-15H2;1H
InChIKeyLSHQKTXNBDTHII-UHFFFAOYSA-N
MW370.01 g/mol
LogP4.48
Rot. Bonds6

About N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 120845331) has the molecular formula C19H32ClN3S and a molecular weight of 370.01 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
PubChem CID120845331
Molecular FormulaC19H32ClN3S
Molecular Weight370.01 g/mol
Exact Mass369.20
IUPAC NameN-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride
SMILESCl.c1csc(CN(CCC2CCCCC2)C2CC23CCNCC3)n1
InChIInChI=1S/C19H31N3S.ClH/c1-2-4-16(5-3-1)6-12-22(15-18-21-11-13-23-18)17-14-19(17)7-9-20-10-8-19;/h11,13,16-17,20H,1-10,12,14-15H2;1H
InChIKeyLSHQKTXNBDTHII-UHFFFAOYSA-N
XLogP4.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.01
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The IUPAC name of N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 120845331) is N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride.
What is the SMILES notation for N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The canonical SMILES for N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cl.c1csc(CN(CCC2CCCCC2)C2CC23CCNCC3)n1.
What is the InChIKey of N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
The InChIKey is LSHQKTXNBDTHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3S.ClH/c1-2-4-16(5-3-1)6-12-22(15-18-21-11-13-23-18)17-14-19(17)7-9-20-10-8-19;/h11,13,16-17,20H,1-10,12,14-15H2;1H.
What are the key properties of N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride?
N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 370.01 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 120845331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).