(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine

C13H21N3O — CID 104516737

IUPAC(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
SMILESCOc1nccnc1/C=C/CCNCC(C)C
InChIInChI=1S/C13H21N3O/c1-11(2)10-14-7-5-4-6-12-13(17-3)16-9-8-15-12/h4,6,8-9,11,14H,5,7,10H2,1-3H3/b6-4+
InChIKeyDCSCIDQWTPNBCV-GQCTYLIASA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds7

About (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine

(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine (PubChem CID 104516737) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
PubChem CID104516737
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine
SMILESCOc1nccnc1/C=C/CCNCC(C)C
InChIInChI=1S/C13H21N3O/c1-11(2)10-14-7-5-4-6-12-13(17-3)16-9-8-15-12/h4,6,8-9,11,14H,5,7,10H2,1-3H3/b6-4+
InChIKeyDCSCIDQWTPNBCV-GQCTYLIASA-N
XLogP2.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine with MolForge

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Related Compounds

2-[(E)-4-chlorobut-1-enyl]-3-methoxypyrazine
CID 104516725
N-(2-methylpropyl)-4-(4-methyl-3-pyridinyl)but-3-en-1-amine
CID 79598791
N-(2-methylpropyl)-5-(2-methyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598527
5-ethoxy-N-(2-methylpropyl)pent-3-en-1-amine
CID 79599561
4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598273
(E)-4-chloro-N-(2-methylpropyl)but-3-en-1-amine
CID 107900963
N-(2-methylpropyl)-4-(2,3,4-trifluorophenyl)but-3-en-1-amine
CID 79598792
N-(2-methylpropyl)-4-naphthalen-1-ylbut-3-en-1-amine
CID 79598011
3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 104516432
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
(E)-4-(4-bromo-1-ethylpyrazol-5-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 114666268
(E)-N-(2-methylpropyl)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546333

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine (CID 104516737) is (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine is COc1nccnc1/C=C/CCNCC(C)C.
What is the InChIKey of (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The InChIKey is DCSCIDQWTPNBCV-GQCTYLIASA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)10-14-7-5-4-6-12-13(17-3)16-9-8-15-12/h4,6,8-9,11,14H,5,7,10H2,1-3H3/b6-4+.
What are the key properties of (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine?
(E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methoxypyrazin-2-yl)-N-(2-methylpropyl)but-3-en-1-amine is sourced from PubChem (CID 104516737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).