N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine

C14H24N4O — CID 79911599

IUPACN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ncn[nH]1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-15-12(13-16-10-17-18-13)11-5-8-19-14(9-11)6-3-2-4-7-14/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyGUULCTOSXVEVKR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds3

About N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine

N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 79911599) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID79911599
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCNC(c1ncn[nH]1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-15-12(13-16-10-17-18-13)11-5-8-19-14(9-11)6-3-2-4-7-14/h10-12,15H,2-9H2,1H3,(H,16,17,18)
InChIKeyGUULCTOSXVEVKR-UHFFFAOYSA-N
XLogP2.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 79911599) is N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine is CNC(c1ncn[nH]1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is GUULCTOSXVEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-15-12(13-16-10-17-18-13)11-5-8-19-14(9-11)6-3-2-4-7-14/h10-12,15H,2-9H2,1H3,(H,16,17,18).
What are the key properties of N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 79911599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).