N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

C15H26N4O — CID 79911427

IUPACN-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncn[nH]1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26N4O/c1-2-8-16-13(14-17-11-18-19-14)12-5-9-20-15(10-12)6-3-4-7-15/h11-13,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyYGTDOFJFKQUNEK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds5

About N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (PubChem CID 79911427) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
PubChem CID79911427
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncn[nH]1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26N4O/c1-2-8-16-13(14-17-11-18-19-14)12-5-9-20-15(10-12)6-3-4-7-15/h11-13,16H,2-10H2,1H3,(H,17,18,19)
InChIKeyYGTDOFJFKQUNEK-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (CID 79911427) is N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is CCCNC(c1ncn[nH]1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The InChIKey is YGTDOFJFKQUNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-8-16-13(14-17-11-18-19-14)12-5-9-20-15(10-12)6-3-4-7-15/h11-13,16H,2-10H2,1H3,(H,17,18,19).
What are the key properties of N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 79911427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).