N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H34N6O — CID 56913790

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1nc(C)nc1C
InChIInChI=1S/C19H34N6O/c1-5-9-24-14-19(6-10-23(4)11-7-19)13-17(24)18(26)20-8-12-25-16(3)21-15(2)22-25/h17H,5-14H2,1-4H3,(H,20,26)
InChIKeyJZYCZKMNXBXPIB-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.21
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56913790) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56913790
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1nc(C)nc1C
InChIInChI=1S/C19H34N6O/c1-5-9-24-14-19(6-10-23(4)11-7-19)13-17(24)18(26)20-8-12-25-16(3)21-15(2)22-25/h17H,5-14H2,1-4H3,(H,20,26)
InChIKeyJZYCZKMNXBXPIB-UHFFFAOYSA-N
XLogP1.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56913790) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1nc(C)nc1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JZYCZKMNXBXPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-5-9-24-14-19(6-10-23(4)11-7-19)13-17(24)18(26)20-8-12-25-16(3)21-15(2)22-25/h17H,5-14H2,1-4H3,(H,20,26).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56913790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).