N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine

C14H24N4O — CID 79895398

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCn1cnnc1CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-18-11-16-17-13(18)10-15-12-5-8-19-14(9-12)6-3-2-4-7-14/h11-12,15H,2-10H2,1H3
InChIKeyCICDPNAHZBYPEK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895398) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895398
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCn1cnnc1CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-18-11-16-17-13(18)10-15-12-5-8-19-14(9-12)6-3-2-4-7-14/h11-12,15H,2-10H2,1H3
InChIKeyCICDPNAHZBYPEK-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
3,3-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 80706414
N-[(1-methylpyrazol-3-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81434408
(4S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96575038
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895206
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 63924407
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 154745659
N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 61004668

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79895398) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine is Cn1cnnc1CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is CICDPNAHZBYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-11-16-17-13(18)10-15-12-5-8-19-14(9-12)6-3-2-4-7-14/h11-12,15H,2-10H2,1H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).