N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C14H26N4O — CID 105038501

IUPACN-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCCn1nncc1C(NC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26N4O/c1-6-7-18-12(8-16-17-18)14(15-5)13-9(2)10(3)19-11(13)4/h8-11,13-15H,6-7H2,1-5H3
InChIKeySCRMBAGMUJVTHX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.01
Rot. Bonds5

About N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine

N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105038501) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105038501
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCCn1nncc1C(NC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H26N4O/c1-6-7-18-12(8-16-17-18)14(15-5)13-9(2)10(3)19-11(13)4/h8-11,13-15H,6-7H2,1-5H3
InChIKeySCRMBAGMUJVTHX-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105038501) is N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CCCn1nncc1C(NC)C1C(C)OC(C)C1C.
What is the InChIKey of N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is SCRMBAGMUJVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-18-12(8-16-17-18)14(15-5)13-9(2)10(3)19-11(13)4/h8-11,13-15H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 266.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105038501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).