2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine

C13H24N4O — CID 125457580

IUPAC2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cn(C[C@@H]2CCOC2)nn1
InChIInChI=1S/C13H24N4O/c1-4-13(2,3)14-7-12-9-17(16-15-12)8-11-5-6-18-10-11/h9,11,14H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyPSIORGSGOVCPHW-NSHDSACASA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds6

About 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine

2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine (PubChem CID 125457580) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
PubChem CID125457580
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cn(C[C@@H]2CCOC2)nn1
InChIInChI=1S/C13H24N4O/c1-4-13(2,3)14-7-12-9-17(16-15-12)8-11-5-6-18-10-11/h9,11,14H,4-8,10H2,1-3H3/t11-/m0/s1
InChIKeyPSIORGSGOVCPHW-NSHDSACASA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66192330
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
3-methoxy-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 125456733
5-(2-methylpropyl)-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 167775777
2-methoxy-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66205617
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine (CID 125457580) is 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine is CCC(C)(C)NCc1cn(C[C@@H]2CCOC2)nn1.
What is the InChIKey of 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine?
The InChIKey is PSIORGSGOVCPHW-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-13(2,3)14-7-12-9-17(16-15-12)8-11-5-6-18-10-11/h9,11,14H,4-8,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine?
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 125457580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).