5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine

C17H30N4 — CID 123473090

IUPAC5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine
SMILES[H]/N=C(C(\C)=C\CCCCC)/C1C(N)=NC(C)=CN1CCC
InChIInChI=1S/C17H30N4/c1-5-7-8-9-10-13(3)15(18)16-17(19)20-14(4)12-21(16)11-6-2/h10,12,16,18H,5-9,11H2,1-4H3,(H2,19,20)/b13-10+,18-15+
InChIKeyKSSCSNJNQBCDAZ-XMNGYJKSSA-N
MW290.45 g/mol
LogP3.85
Rot. Bonds8

About 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine

5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine (PubChem CID 123473090) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine
PubChem CID123473090
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine
SMILES[H]/N=C(C(\C)=C\CCCCC)/C1C(N)=NC(C)=CN1CCC
InChIInChI=1S/C17H30N4/c1-5-7-8-9-10-13(3)15(18)16-17(19)20-14(4)12-21(16)11-6-2/h10,12,16,18H,5-9,11H2,1-4H3,(H2,19,20)/b13-10+,18-15+
InChIKeyKSSCSNJNQBCDAZ-XMNGYJKSSA-N
XLogP3.85
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Hex-1-en-2-yl-3-hex-4-en-2-ylidenepyrazin-2-amine
CID 123784128
3-(3-Methylidenehex-4-en-2-ylidene)-4-oct-2-en-3-ylpyrazin-2-amine
CID 123787402
3-Hept-5-en-3-ylidene-4-hex-1-en-2-ylpyrazin-2-amine
CID 123994608
N'-cyclopropyl-2-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]-3,4-dihydropyridine-6-carboximidamide
CID 129238758
6-[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]-2-ethylimino-N-[2-(methylideneamino)ethyl]-3H-pyridin-4-amine
CID 173719772
(4E)-7-chloro-N'-[2-(dipropylamino)ethyl]-2-ethenylimino-4-ethylideneoct-6-enimidamide
CID 174254350

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine?
The IUPAC name of 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine (CID 123473090) is 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine.
What is the SMILES notation for 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine?
The canonical SMILES for 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine is [H]/N=C(C(\C)=C\CCCCC)/C1C(N)=NC(C)=CN1CCC.
What is the InChIKey of 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine?
The InChIKey is KSSCSNJNQBCDAZ-XMNGYJKSSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-7-8-9-10-13(3)15(18)16-17(19)20-14(4)12-21(16)11-6-2/h10,12,16,18H,5-9,11H2,1-4H3,(H2,19,20)/b13-10+,18-15+.
What are the key properties of 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine?
5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-methyloct-2-enimidoyl]-1-propyl-2H-pyrazin-3-amine is sourced from PubChem (CID 123473090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).