2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine

C12H23N5O — CID 115682116

IUPAC2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCn1nncc1CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H23N5O/c1-12(2,17-4-6-18-7-5-17)10-13-8-11-9-14-15-16(11)3/h9,13H,4-8,10H2,1-3H3
InChIKeyPIMRTQTVTRYQPA-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.02
Rot. Bonds5

About 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine

2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 115682116) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID115682116
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCn1nncc1CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C12H23N5O/c1-12(2,17-4-6-18-7-5-17)10-13-8-11-9-14-15-16(11)3/h9,13H,4-8,10H2,1-3H3
InChIKeyPIMRTQTVTRYQPA-UHFFFAOYSA-N
XLogP0.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 115745052
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663587
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 103897704
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114936331
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
1-[(3-methyltriazol-4-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111862118
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 115682116) is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine is Cn1nncc1CNCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is PIMRTQTVTRYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-12(2,17-4-6-18-7-5-17)10-13-8-11-9-14-15-16(11)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 115682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).