N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

C16H27N3S — CID 56721252

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCc1csc(CNC2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C16H27N3S/c1-2-13-12-20-15(19-13)11-18-14-3-5-16(6-4-14)7-9-17-10-8-16/h12,14,17-18H,2-11H2,1H3
InChIKeyVYTBVZFUMRKGJP-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.11
Rot. Bonds4

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56721252) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56721252
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCc1csc(CNC2CCC3(CCNCC3)CC2)n1
InChIInChI=1S/C16H27N3S/c1-2-13-12-20-15(19-13)11-18-14-3-5-16(6-4-14)7-9-17-10-8-16/h12,14,17-18H,2-11H2,1H3
InChIKeyVYTBVZFUMRKGJP-UHFFFAOYSA-N
XLogP3.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56721252) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is CCc1csc(CNC2CCC3(CCNCC3)CC2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is VYTBVZFUMRKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-2-13-12-20-15(19-13)11-18-14-3-5-16(6-4-14)7-9-17-10-8-16/h12,14,17-18H,2-11H2,1H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 293.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56721252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).