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

C11H21N5O — CID 114223348

IUPACN-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1cnnn1C
InChIInChI=1S/C11H21N5O/c1-9(2)12-6-10-8-17-5-4-16(10)11-7-13-14-15(11)3/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyRLFVFJLPXOXXOD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.02
Rot. Bonds4

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

N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine (PubChem CID 114223348) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine
PubChem CID114223348
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1c1cnnn1C
InChIInChI=1S/C11H21N5O/c1-9(2)12-6-10-8-17-5-4-16(10)11-7-13-14-15(11)3/h7,9-10,12H,4-6,8H2,1-3H3
InChIKeyRLFVFJLPXOXXOD-UHFFFAOYSA-N
XLogP0.02
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1,3,4-thiadiazol-2-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105398
N-[[4-(6-methyl-2-pyridinyl)morpholin-3-yl]methyl]propan-2-amine
CID 83105217
N-[[4-[4-(trifluoromethyl)phenyl]morpholin-3-yl]methyl]propan-2-amine
CID 83105058
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
N-[[4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100020
N-[[4-(5-methoxy-2-pyridinyl)morpholin-3-yl]methyl]propan-2-amine
CID 106504984
N-[[4-(6-methoxy-2-methylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105220
N-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholin-3-yl]methyl]propan-2-amine
CID 83104206
N-[(4-thieno[3,2-c]pyridin-4-ylmorpholin-3-yl)methyl]propan-2-amine
CID 83104921
N-[[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83105223
N-[[4-(6-propan-2-yloxypyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83106060
N-[[4-(6-propylpyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104201

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine (CID 114223348) is N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1c1cnnn1C.
What is the InChIKey of N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is RLFVFJLPXOXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)12-6-10-8-17-5-4-16(10)11-7-13-14-15(11)3/h7,9-10,12H,4-6,8H2,1-3H3.
What are the key properties of N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine?
N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methyltriazol-4-yl)morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114223348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).