N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine

C12H22N4O — CID 105038505

IUPACN-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)C1CCOC1C
InChIInChI=1S/C12H22N4O/c1-4-6-16-11(8-14-15-16)12(13-3)10-5-7-17-9(10)2/h8-10,12-13H,4-7H2,1-3H3
InChIKeyNTPHJTAFRYGSQQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine

N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038505) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine
PubChem CID105038505
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)C1CCOC1C
InChIInChI=1S/C12H22N4O/c1-4-6-16-11(8-14-15-16)12(13-3)10-5-7-17-9(10)2/h8-10,12-13H,4-7H2,1-3H3
InChIKeyNTPHJTAFRYGSQQ-UHFFFAOYSA-N
XLogP1.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine (CID 105038505) is N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)C1CCOC1C.
What is the InChIKey of N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is NTPHJTAFRYGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-16-11(8-14-15-16)12(13-3)10-5-7-17-9(10)2/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine?
N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).