N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

C13H24N4O — CID 125180092

IUPACN-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)C[C@H]1CCCOC1
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-14-15-13(17)8-16(3)7-12-5-4-6-18-9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyYSPKDOBCDGLSIK-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine

N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 125180092) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID125180092
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)C[C@H]1CCCOC1
InChIInChI=1S/C13H24N4O/c1-11(2)17-10-14-15-13(17)8-16(3)7-12-5-4-6-18-9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyYSPKDOBCDGLSIK-GFCCVEGCSA-N
XLogP1.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
CID 115393989
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
2-[methyl(oxan-3-ylmethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 63713462
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63713066
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
2-methyl-N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63706148
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 125180092) is N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)C[C@H]1CCCOC1.
What is the InChIKey of N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is YSPKDOBCDGLSIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)17-10-14-15-13(17)8-16(3)7-12-5-4-6-18-9-12/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-oxan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 125180092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).