N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine

C15H26N4O — CID 107381055

IUPACN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
SMILESC=CCN(CCOC)c1cnc(CNCC(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-5-6-19(7-8-20-4)15-12-17-14(11-18-15)10-16-9-13(2)3/h5,11-13,16H,1,6-10H2,2-4H3
InChIKeyJLQXASMHULMLEQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.86
Rot. Bonds10

About N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine (PubChem CID 107381055) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
PubChem CID107381055
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
SMILESC=CCN(CCOC)c1cnc(CNCC(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-5-6-19(7-8-20-4)15-12-17-14(11-18-15)10-16-9-13(2)3/h5,11-13,16H,1,6-10H2,2-4H3
InChIKeyJLQXASMHULMLEQ-UHFFFAOYSA-N
XLogP1.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrazin-2-amine
CID 107380720
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340214
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazin-2-amine
CID 107379629
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
N-[(5-methoxypyrazin-2-yl)methyl]-2-methylpropan-1-amine
CID 107381363
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-6-propylpyridin-2-amine
CID 103340202
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340081
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine (CID 107381055) is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine is C=CCN(CCOC)c1cnc(CNCC(C)C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The InChIKey is JLQXASMHULMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-19(7-8-20-4)15-12-17-14(11-18-15)10-16-9-13(2)3/h5,11-13,16H,1,6-10H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine is sourced from PubChem (CID 107381055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).