N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine

C10H21N5O — CID 167213652

IUPACN-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine
SMILESCNCCCCn1nncc1COCNC
InChIInChI=1S/C10H21N5O/c1-11-5-3-4-6-15-10(7-13-14-15)8-16-9-12-2/h7,11-12H,3-6,8-9H2,1-2H3
InChIKeyJOWKJOLECBVUFW-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.03
Rot. Bonds9

About N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine

N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine (PubChem CID 167213652) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine
PubChem CID167213652
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine
SMILESCNCCCCn1nncc1COCNC
InChIInChI=1S/C10H21N5O/c1-11-5-3-4-6-15-10(7-13-14-15)8-16-9-12-2/h7,11-12H,3-6,8-9H2,1-2H3
InChIKeyJOWKJOLECBVUFW-UHFFFAOYSA-N
XLogP-0.03
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[5-(2-methoxyethyl)triazol-1-yl]hexan-2-one
CID 167512912
4-[5-(2-methoxy-2-oxoethyl)triazol-1-yl]butanoic acid
CID 82222525
N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
CID 156861020
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
5-(4-methylpentyl)-1-(6-methylsulfanylhexyl)triazole
CID 126566664
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine?
The IUPAC name of N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine (CID 167213652) is N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine.
What is the SMILES notation for N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine?
The canonical SMILES for N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine is CNCCCCn1nncc1COCNC.
What is the InChIKey of N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine?
The InChIKey is JOWKJOLECBVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-11-5-3-4-6-15-10(7-13-14-15)8-16-9-12-2/h7,11-12H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine?
N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine has a molecular weight of 227.31 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(methylaminomethoxymethyl)triazol-1-yl]butan-1-amine is sourced from PubChem (CID 167213652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).