N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine

C14H23N3O — CID 131914942

IUPACN-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1ncc(CN(C)CC2(C)COC2)c1C
InChIInChI=1S/C14H23N3O/c1-5-6-17-12(2)13(7-15-17)8-16(4)9-14(3)10-18-11-14/h5,7H,1,6,8-11H2,2-4H3
InChIKeyDOXXGFIXLJQKMX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine

N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine (PubChem CID 131914942) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
PubChem CID131914942
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1ncc(CN(C)CC2(C)COC2)c1C
InChIInChI=1S/C14H23N3O/c1-5-6-17-12(2)13(7-15-17)8-16(4)9-14(3)10-18-11-14/h5,7H,1,6,8-11H2,2-4H3
InChIKeyDOXXGFIXLJQKMX-UHFFFAOYSA-N
XLogP1.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine (CID 131914942) is N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine is C=CCn1ncc(CN(C)CC2(C)COC2)c1C.
What is the InChIKey of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
The InChIKey is DOXXGFIXLJQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-6-17-12(2)13(7-15-17)8-16(4)9-14(3)10-18-11-14/h5,7H,1,6,8-11H2,2-4H3.
What are the key properties of N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine?
N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine has a molecular weight of 249.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1-prop-2-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 131914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).